3-Bromo-1-(propan-2-yl)-1H-1,2,4-triazole - CAS 1823441-99-1

Catalog:	BB052478
Product Name:	3-Bromo-1-(propan-2-yl)-1H-1,2,4-triazole
CAS:	1823441-99-1
Synonyms:	3-Bromo-1-isopropyl-1H-1,2,4-triazole

Technical Data

Computed Properties

IUPAC Name:	3-bromo-1-propan-2-yl-1,2,4-triazole
Molecular Weight:	190.04
Molecular Formula:	C5H8BrN3
Canonical SMILES:	CC(C)N1C=NC(=N1)Br
InChI:	InChI=1S/C5H8BrN3/c1-4(2)9-3-7-5(6)8-9/h3-4H,1-2H3
InChI Key:	QQNOHJDCGBAVNJ-UHFFFAOYSA-N

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Related Functional Groups

Halides

[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[111-85-3]
1-Chlorooctane
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[73084-03-4]
2,4-di-tert-butyl-6-chloro-1,3,5-triazine
[4185-62-0]
2-Bromo-1-nitronaphthalene

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

Triazole/Tetrazole

[1415314-22-5]
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[1823421-51-7]
Ethyl 2-(5-chloro-1H-1,2,4-triazol-1-yl)butanoate
[1823783-80-7]
Ethyl 4-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823402-73-8]
Ethyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
[4928-88-5]
Methyl-1H-1,2,4-triazole-3-carboxylate
[1823782-28-0]
2-[2-(propan-2-yl)-2H-1,2,3-triazol-4-yl]acetic acid

Complexity:	96.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.99016
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.99016
Rotatable Bond Count:	1
Topological Polar Surface Area:	30.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7