1-(1-Methyl-1H-1,2,4-triazol-5-yl)ethanamine - CAS 1210875-52-7

Catalog:	BB005032
Product Name:	1-(1-Methyl-1H-1,2,4-triazol-5-yl)ethanamine
CAS:	1210875-52-7
Synonyms:	1-(2-methyl-1,2,4-triazol-3-yl)ethanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(2-methyl-1,2,4-triazol-3-yl)ethanamine
Description:	1-(1-Methyl-1H-1,2,4-triazol-5-yl)ethanamine (CAS# 1210875-52-7) is a useful research chemical.
Molecular Weight:	126.16
Molecular Formula:	C5H10N4
Canonical SMILES:	CC(C1=NC=NN1C)N
InChI:	InChI=1S/C5H10N4/c1-4(6)5-7-3-8-9(5)2/h3-4H,6H2,1-2H3
InChI Key:	OCXIKYJPCILJLE-UHFFFAOYSA-N
LogP:	0.53510

Publication Number	Title	Priority Date
US-10689367-B2	Triazole pyridyl compounds as agonists of the APJ receptor	20161116
US-2019300507-A1	Triazole pyridyl compounds as agonists of the apj receptor	20161116
EP-3541803-B1	Triazole pyridyl compounds as agonists of the apj receptor	20161116
EP-3286166-B1	Inhibitors of human immunodeficiency virus replication	20150423
JP-2018515452-A	Inhibitors of human immunodeficiency virus replication	20150423

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Related Functional Groups

Triazole/Tetrazole

[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[1855888-97-9]
N-Benzyl-1-(1-ethyl-1H-1,2,4-triazol-5-yl)methanamine dihydrochloride
[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[1415314-22-5]
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[1823783-63-6]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate
[1823829-53-3]
Ethyl 2-(5-chloro-1H-1,2,4-triazol-1-yl)propanoate

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Complexity:	95
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.090546336
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	126.090546336
Rotatable Bond Count:	1
Topological Polar Surface Area:	56.7
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7