5-(3-Aminopropyl)-1,2,4-Triazole - CAS 616197-93-4

Catalog:	BB031197
Product Name:	5-(3-Aminopropyl)-1,2,4-Triazole
CAS:	616197-93-4
Synonyms:	3-(1H-1,2,4-triazol-5-yl)-1-propanamine; 3-(1H-1,2,4-triazol-5-yl)propan-1-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(1H-1,2,4-triazol-5-yl)propan-1-amine
Description:	5-(3-Aminopropyl)-1,2,4-Triazole (CAS# 616197-93-4 ) is a useful research chemical.
Molecular Weight:	126.16
Molecular Formula:	C5H10N4
Canonical SMILES:	C1=NNC(=N1)CCCN
InChI:	InChI=1S/C5H10N4/c6-3-1-2-5-7-4-8-9-5/h4H,1-3,6H2,(H,7,8,9)
InChI Key:	XGQWLORBOSWDGW-UHFFFAOYSA-N

Publication Number	Title	Priority Date
TW-201734198-A	Method for producing L-histidine acid glutamic acid mutant strain and method for producing L-histamine	20160314
TW-I627278-B	Method for producing L-histidine acid glutamic acid mutant strain and method for producing L-histamine	20160314
CA-2974078-A1	Quinazoline and quinoline compounds and uses thereof	20150120
EP-3247705-B1	Quinazoline and quinoline compounds and uses thereof as nampt inhibitors	20150120
JP-2018502141-A	Quinazoline and quinoline compounds and uses thereof	20150120

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Complexity:	75.4
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:	2
Isotope Atom Count:	0
Monoisotopic Mass:	126.090546336
Rotatable Bond Count:	3
Topological Polar Surface Area:	67.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3