3-(4H-1,2,4-triazol-3-yl)piperidine dihydrochloride

3-(4H-1,2,4-triazol-3-yl)piperidine dihydrochloride

CAS: 1609409-13-3

Formula: C7H14Cl2N4

SMILES: Cl.Cl.C1CNCC(C1)C1=NN=CN1

IUPAC: 3-(4H-1,2,4-triazol-3-yl)piperidine dihydrochloride

InChI: InChI=1/C7H12N4.2ClH/c1-2-6(4-8-3-1)7-9-5-10-11-7;;/h5-6,8H,1-4H2,(H,9,10,11);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	2
InChIKey	ZTLPZOURBMRYNB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.95
Topological Polar Surface Area	53.6
Polarizability	16.2
Ring Count	2
Rotatable Bond Count	1

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95%	<4 Days	1609409-13-3		$80.50-$645.15$80.50$151.80$461.15$645.15