Cas no 23164-66-1 (1H-1,2,4-Triazole, 3,3'-methylenebis[5-methyl-)
23164-66-1 structure
Product Name:1H-1,2,4-Triazole, 3,3'-methylenebis[5-methyl-
CAS No:23164-66-1
MF:C7H10N6
MW:178.194499492645
CID:1413769
PubChem ID:390145
Update Time:2025-04-20
1H-1,2,4-Triazole, 3,3'-methylenebis[5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 23164-66-1
- 3-Methyl-5-((3-methyl-1H-1,2,4-triazol-5-yl)methyl)-1H-1,2,4-triazole
- NCI60_031418
- SCHEMBL15078011
- SCHEMBL26110384
- CHEMBL1968047
- Bis(5-methyl-4H-1,2,4-triazol-3-yl)methane
- NSC687213
- 3-methyl-5-[(3-methyl-1H-1,2,4-triazol-5-yl)methyl]-1H-1,2,4-triazole
- bis(5-methyl-1h-1,2,4-triazol-3-yl)methane
- NSC-687213
- 1H-1,2,4-Triazole, 3,3'-methylenebis[5-methyl-
-
- Inchi： 1S/C7H10N6/c1-4-8-6(12-10-4)3-7-9-5(2)11-13-7/h3H2,1-2H3,(H,8,10,12)(H,9,11,13)
- InChI Key： ZSGFOXSLSMSYCI-UHFFFAOYSA-N
- SMILES： N1=C(C)NN=C1CC1=NNC(C)=N1
Computed Properties
- Exact Mass: 178.0969
- Monoisotopic Mass: 178.09669434g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 156
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 83.1?2
Experimental Properties
- PSA: 83.14
1H-1,2,4-Triazole, 3,3'-methylenebis[5-methyl- Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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