AC1L4645 structure

AC1L4645

N-(3-amino-3-iminopropyl)-5-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-2-methyl-1,2,4-triazole-3-carboxamide;hydrochloride

Also Known As: 1H-1,2,4-Triazole-5-carboxamide, N-(3-amino-3-iminopropyl)-3-(((4-amino-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, monohydrochloride|3-(1-Methyl-3-(1-methyl-4-aminopyrrole-2-carboxamido)-1,2,4-triazole -5-carboxamido)propionamidine hydrochloride|N-(3-Amino-3-iminopropyl)-3-(4-amino-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-1,2,4-triazole-5-carboxamide--hydrogen chloride (1/1)|N-(3-amino-3-iminopropyl)-5-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-2-methyl-1,2,4-triazole-3-carboxamide hydrochloride

CAS: 132775-71-4
Molecular Formula C13H20ClN9O2
Molecular Weight 369.14285 g/mol
LogP -0.53423
Topological Polar Surface Area 170.0 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 6
Rotatable Bonds 6
Exact Mass 369.14285
Monoisotopic Mass 369.14285
Heavy Atoms 25
Complexity 500.0

Chemical Identifiers

CAS Number 132775-71-4
SMILES CN1C=C(C=C1C(=O)NC2=NN(C(=N2)C(=O)NCCC(=N)N)C)N.Cl
InChIKey VLNLKFOYXOJGRS-UHFFFAOYSA-N

Product Overview

AC1L4645 (CAS 132775-71-4), with molecular formula C13H20ClN9O2 and molecular weight 369.14285 g/mol. IUPAC: N-(3-amino-3-iminopropyl)-5-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-2-methyl-1,2,4-triazole-3-carboxamide;hydrochloride.

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