2-(2H-1,2,3,4-tetrazol-5-yl)aniline hydrate

2-(2H-1,2,3,4-tetrazol-5-yl)aniline hydrate

CAS: 1609395-48-3

Formula: C7H9N5O

SMILES: O.NC1=C(C=CC=C1)C1=NNN=N1

IUPAC: 2-(2H-1,2,3,4-tetrazol-5-yl)aniline hydrate

InChI: InChI=1S/C7H7N5.H2O/c8-6-4-2-1-3-5(6)7-9-11-12-10-7;/h1-4H,8H2,(H,9,10,11,12);1H2

Composition: C (46.92%), H (5.06%), N (39.09%), O (8.93%)

Molar Mass: 179.183

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	179.08070993
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	YFWCNKSJFLSBIO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.12
Topological Polar Surface Area	80.48
Polarizability	16.8
Ring Count	2
Rotatable Bond Count	1

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