1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid

1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid

CAS: 1535399-62-2

Formula: C6H4N4O2

SMILES: OC(=O)C1=NNC2=NC=NC=C12

IUPAC: 1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid

InChI: InChI=1S/C6H4N4O2/c11-6(12)4-3-1-7-2-8-5(3)10-9-4/h1-2H,(H,11,12)(H,7,8,9,10)

Composition: C (43.91%), H (2.46%), N (34.14%), O (19.50%)

Molar Mass: 164.124

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	164.033425385
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	AORPWJKIKLMVJE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.57
Topological Polar Surface Area	91.76
Polarizability	14.65
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1535399-62-2		$322.82-$520.79$322.82$520.79