5-Methyl-2H-tetrazol-2-amine - CAS 817177-74-5

Name: 5-Methyl-2H-tetrazol-2-amine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB059335
Product Name:	5-Methyl-2H-tetrazol-2-amine
CAS:	817177-74-5
Synonyms:	5-Methyl-2H-tetrazol-2-amine; 5-methyltetrazol-2-amine; 2-amino-5-methyl tetrazole

Technical Data

Computed Properties

IUPAC Name:	5-methyltetrazol-2-amine
Description:	5-Methyl-2H-tetrazol-2-amine is an aminotetrazole derivative used in the preparation of chromone and thiachromone carboxyamido tetrazoles as anti-asthmatic agents.
Molecular Weight:	99.09
Molecular Formula:	C2H5N5
Canonical SMILES:	CC1=NN(N=N1)N
InChI:	InChI=1S/C2H5N5/c1-2-4-6-7(3)5-2/h3H2,1H3
InChI Key:	QWNBAHHRUUKFIU-UHFFFAOYSA-N
Solubility:	Acetone, Acetonitrile, Ethyl Acetate
Appearance:	Yellow Oil
References:	Moderhack, D., et al. Heterocycles., 78, 2509 (2009).

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Complexity:	63.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	99.05449518
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	99.05449518
Rotatable Bond Count:	0
Topological Polar Surface Area:	69.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3