Cas no 67646-18-8 (1H-1,2,4-Triazole, 3-hexyl-)
1H-1,2,4-Triazole, 3-hexyl- structure
Product Name:1H-1,2,4-Triazole, 3-hexyl-
CAS No:67646-18-8
MF:C8H15N3
MW:153.224801301956
CID:387803
PubChem ID:558136
Update Time:2025-04-19
1H-1,2,4-Triazole, 3-hexyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-1,2,4-Triazole, 3-hexyl-
- 5-hexyl-1H-1,2,4-triazole
- SCHEMBL21634151
- 5-Hexyl-1H-1,2,4-triazole #
- 1-(S-Triazin-3-yl)-hexane
- WRTYTWBAUOUGPF-UHFFFAOYSA-N
- DTXSID30339734
- 67646-18-8
-
- Inchi： 1S/C8H15N3/c1-2-3-4-5-6-8-9-7-10-11-8/h7H,2-6H2,1H3,(H,9,10,11)
- InChI Key： WRTYTWBAUOUGPF-UHFFFAOYSA-N
- SMILES： N1C(CCCCCC)=NC=N1
Computed Properties
- Exact Mass: 153.126597491g/mol
- Monoisotopic Mass: 153.126597491g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 95.3
- 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: 2.8
- Topological Polar Surface Area: 41.6?2
1H-1,2,4-Triazole, 3-hexyl- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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