7-(4-methoxyphenyl)-6H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-5-carboxylic acid

7-(4-methoxyphenyl)-6H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-5-carboxylic acid

CAS: 515824-23-4

Formula: C12H11N5O3

SMILES: COC1=CC=C(C=C1)C1CC(=NC2=NN=NN12)C(O)=O

IUPAC: 7-(4-methoxyphenyl)-6H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-5-carboxylic acid

InChI: InChI=1/C12H11N5O3/c1-20-8-4-2-7(3-5-8)10-6-9(11(18)19)13-12-14-15-16-17(10)12/h2-5,10H,6H2,1H3,(H,18,19)

Composition: C (52.75%), H (4.06%), N (25.63%), O (17.57%)

Molar Mass: 273.252

Atom Count: 31

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	273.086189234
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	UORYLIOLOAIOOL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.57
Topological Polar Surface Area	102.49
Polarizability	25.42
Ring Count	3
Rotatable Bond Count	3

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