3-aminopyridazine-4-carboxylic acid

3-aminopyridazine-4-carboxylic acid

CAS: 21141-03-7

Formula: C5H5N3O2

SMILES: NC1=C(C=CN=N1)C(O)=O

IUPAC: 3-aminopyridazine-4-carboxylic acid

InChI: InChI=1S/C5H5N3O2/c6-4-3(5(9)10)1-2-7-8-4/h1-2H,(H2,6,8)(H,9,10)

Composition: C (43.17%), H (3.62%), N (30.21%), O (23.00%)

Molar Mass: 139.114

Atom Count: 15

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	139.038176413
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	KCOOFYQDXAMIBZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.03
Topological Polar Surface Area	89.1
Polarizability	12.15
Ring Count	1
Rotatable Bond Count	1

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