1-[(4-Hydrazinylphenyl)Methyl]-1H-1,2,4-Triazole Hydrochloride (1:2)

CAS: 212248-62-9 | C9H13Cl2N5

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CAS Registry Number: 212248-62-9

Molecular Formula: C9H13Cl2N5

Molecular Mass: 262.14 g/mol

1-[(4-Hydrazinylphenyl)Methyl]-1H-1,2,4-Triazole Hydrochloride (1:2)

1H-1,2,4-Triazole, 1-[(4-hydrazinylphenyl)methyl]-, hydrochloride (1:2)

1H-1,2,4-Triazole, 1-[(4-hydrazinophenyl)methyl]-, dihydrochloride

1-[(4-Hydrazinylphenyl)methyl]-1H-1,2,4-triazole hydrochloride (1:2)

Cl.Cl.NNc1ccc(Cn2cncn2)cc1

InChI=1S/C9H11N5.2ClH/c10-13-9-3-1-8(2-4-9)5-14-7-11-6-12-14;;/h1-4,6-7,13H,5,10H2;2*1H

NMR, IR, and Mass spectral data

1H NMR

13C NMR

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	262.14 g/mol	CAS Common Chemistry
	262.144 g/mol	RDKit
	261.054800776 g/mol	RDKit
Canonical SMILES	Cl.N=1C=NN(C1)CC2=CC=C(C=C2)NN	CAS Common Chemistry
InChI	InChI=1S/C9H11N5.2ClH/c10-13-9-3-1-8(2-4-9)5-14-7-11-6-12-14;;/h1-4,6-7,13H,5,10H2;2*1H	CAS Common Chemistry
InChI Key	InChIKey=GQCFPMNGKXWANF-UHFFFAOYSA-N	CAS Common Chemistry
Name	1-[(4-Hydrazinylphenyl)methyl]-1H-1,2,4-triazole hydrochloride (1:2)	CAS Common Chemistry
Heavy Atom Count	16	RDKit
Hydrogen Bond Acceptors	5	RDKit
Hydrogen Bond Donors	2	RDKit
Rotatable Bonds	3	RDKit
Aromatic Ring Count	2	RDKit
Topological Polar Surface Area	68.75999999999999 Å²	RDKit
LogP	1.4556	RDKit
Molar Refractivity	67.87210000000002	RDKit