3-amino-5-methyl-1H-pyrazole-4-carbonitrile

3-amino-5-methyl-1H-pyrazole-4-carbonitrile

CAS: 5453-07-6

Formula: C5H6N4

SMILES: CC1=C(C#N)C(N)=NN1

IUPAC: 3-amino-5-methyl-1H-pyrazole-4-carbonitrile

InChI: InChI=1S/C5H6N4/c1-3-4(2-6)5(7)9-8-3/h1H3,(H3,7,8,9)

Composition: C (49.17%), H (4.95%), N (45.88%)

Molar Mass: 122.131

Atom Count: 15

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	122.059246209
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	CRRHJAMDQMQGKG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.63
Topological Polar Surface Area	78.49
Polarizability	11.9
Ring Count	1
Rotatable Bond Count	0

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