1-{3-methyl-5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-6-yl}methanamine dihydrochloride

1-{3-methyl-5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-6-yl}methanamine dihydrochloride

CAS: 2169998-45-0

Formula: C7H14Cl2N4

SMILES: Cl.Cl.CC1=NN=C2CC(CN)CN12

IUPAC: 1-{3-methyl-5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-6-yl}methanamine dihydrochloride

InChI: InChI=1/C7H12N4.2ClH/c1-5-9-10-7-2-6(3-8)4-11(5)7;;/h6H,2-4,8H2,1H3;2*1H

Composition: C (37.35%), H (6.27%), Cl (31.49%), N (24.89%)

Molar Mass: 225.12

Atom Count: 27

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	224.0595519
Formal Charge	0
FSP3	0.71
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UBUJZZOGYVDHPD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.86
Topological Polar Surface Area	56.73
Polarizability	16.04
Ring Count	2
Rotatable Bond Count	1

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95%	<4 Days	2169998-45-0		$215.05-$2,466.75$215.05$1,189.10$2,466.75