Cas no 99066-16-7 (s-TriazOle, 3-isobutyl-5-isopropyl- (6CI))
99066-16-7 structure
Product Name:s-TriazOle, 3-isobutyl-5-isopropyl- (6CI)
CAS No:99066-16-7
MF:C9H17N3
MW:167.251381635666
CID:1002728
PubChem ID:59287376
Update Time:2025-04-20
s-TriazOle, 3-isobutyl-5-isopropyl- (6CI) Chemical and Physical Properties
Names and Identifiers
-
- s-TriazOle, 3-isobutyl-5-isopropyl- (6CI)
- AKOS010592270
- 99066-16-7
- 3-Isobutyl-5-isopropyl-1H-1,2,4-triazole
- SCHEMBL7602667
-
- Inchi： 1S/C9H17N3/c1-6(2)5-8-10-9(7(3)4)12-11-8/h6-7H,5H2,1-4H3,(H,10,11,12)
- InChI Key： YNYBGYJEMRELEH-UHFFFAOYSA-N
- SMILES： N1C(C(C)C)=NNC=1CC(C)C
Computed Properties
- Exact Mass: 167.142247555g/mol
- Monoisotopic Mass: 167.142247555g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 134
- 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
s-TriazOle, 3-isobutyl-5-isopropyl- (6CI) Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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