3-(Bromomethyl)-1-methyl-1,2,4-triazole - CAS 1312601-14-1

Catalog:	BB007277
Product Name:	3-(Bromomethyl)-1-methyl-1,2,4-triazole
CAS:	1312601-14-1
Synonyms:	3-(bromomethyl)-1-methyl-1,2,4-triazole; 3-(bromomethyl)-1-methyl-1,2,4-triazole

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(bromomethyl)-1-methyl-1,2,4-triazole
Description:	3-(Bromomethyl)-1-methyl-1,2,4-triazole (CAS# 1312601-14-1 ) is a useful research chemical.
Molecular Weight:	176.01
Molecular Formula:	C4H6BrN3
Canonical SMILES:	CN1C=NC(=N1)CBr
InChI:	InChI=1S/C4H6BrN3/c1-8-3-6-4(2-5)7-8/h3H,2H2,1H3
InChI Key:	OHHUXUIPLIQQKZ-UHFFFAOYSA-N
LogP:	0.71000

Publication Number	Title	Priority Date
EP-2516445-B1	Tricyclic derivatives and their pharmaceutical use and compositions	20091222
ES-2539382-T3	Tricyclic derivatives and their pharmaceutical use and compositions	20091222
AU-2010332955-A1	3,4,4a,10b-tetrahydro-1H-thiopyrano-[4, 3-c] isoquinoline derivatives	20091218
AU-2010332955-B2	3,4,4a,10b-tetrahydro-1H-thiopyrano-[4, 3-c] isoquinoline derivatives	20091218
AU-2010332955-B8	3,4,4a,10b-tetrahydro-1H-thiopyrano-[4, 3-c] isoquinoline derivatives	20091218

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Related Functional Groups

Triazole/Tetrazole

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[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[1243250-13-6]
Ethyl (3-bromo-1H-1,2,4-triazol-1-yl)acetate
[13616-37-0]
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[1823402-86-3]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)propanoate

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Complexity:	77.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.97451
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	174.97451
Rotatable Bond Count:	1
Topological Polar Surface Area:	30.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6