3-(5-phenyltetrazol-2-yl)pyridazine-4-carboxylic acid

C12H8N6O2 — CID 80517200

IUPAC3-(5-phenyltetrazol-2-yl)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1-n1nnc(-c2ccccc2)n1
InChIInChI=1S/C12H8N6O2/c19-12(20)9-6-7-13-15-11(9)18-16-10(14-17-18)8-4-2-1-3-5-8/h1-7H,(H,19,20)
InChIKeyQVSKAQYKEQSUOH-UHFFFAOYSA-N
MW268.24 g/mol
LogP0.82
Rot. Bonds3

About 3-(5-phenyltetrazol-2-yl)pyridazine-4-carboxylic acid

3-(5-phenyltetrazol-2-yl)pyridazine-4-carboxylic acid (PubChem CID 80517200) has the molecular formula C12H8N6O2 and a molecular weight of 268.24 g/mol. Its IUPAC name is 3-(5-phenyltetrazol-2-yl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(5-phenyltetrazol-2-yl)pyridazine-4-carboxylic acid
PubChem CID80517200
Molecular FormulaC12H8N6O2
Molecular Weight268.24 g/mol
Exact Mass268.07
IUPAC Name3-(5-phenyltetrazol-2-yl)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1-n1nnc(-c2ccccc2)n1
InChIInChI=1S/C12H8N6O2/c19-12(20)9-6-7-13-15-11(9)18-16-10(14-17-18)8-4-2-1-3-5-8/h1-7H,(H,19,20)
InChIKeyQVSKAQYKEQSUOH-UHFFFAOYSA-N
XLogP0.82
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-fluoro-2-(5-phenyltetrazol-2-yl)benzoic acid
CID 62650291
3-(5-phenyltetrazol-2-yl)benzoic acid
CID 63941692
3-pyrrolidin-1-ylpyridazine-4-carboxylic acid
CID 80517688
3-(4-nitroimidazol-1-yl)pyridazine-4-carboxylic acid
CID 80517400
3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carboxylic acid
CID 80516938
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
2-(2-ethylphenyl)-5-phenyltetrazole
CID 23606527
5-methyl-6-(5-phenyltetrazol-2-yl)pyridine-3-carbaldehyde
CID 80631830
3-(3-propan-2-ylpyrazol-1-yl)pyridazine-4-carboxylic acid
CID 80517428
3-phenylpyridazine-4-carboxamide
CID 141336777
3-(4-iodopyrazol-1-yl)pyridazine-4-carboxylic acid
CID 80517371
2-(furan-2-yl)-5-phenyltetrazole
CID 66611423

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyltetrazol-2-yl)pyridazine-4-carboxylic acid?
The IUPAC name of 3-(5-phenyltetrazol-2-yl)pyridazine-4-carboxylic acid (CID 80517200) is 3-(5-phenyltetrazol-2-yl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(5-phenyltetrazol-2-yl)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(5-phenyltetrazol-2-yl)pyridazine-4-carboxylic acid is O=C(O)c1ccnnc1-n1nnc(-c2ccccc2)n1.
What is the InChIKey of 3-(5-phenyltetrazol-2-yl)pyridazine-4-carboxylic acid?
The InChIKey is QVSKAQYKEQSUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6O2/c19-12(20)9-6-7-13-15-11(9)18-16-10(14-17-18)8-4-2-1-3-5-8/h1-7H,(H,19,20).
What are the key properties of 3-(5-phenyltetrazol-2-yl)pyridazine-4-carboxylic acid?
3-(5-phenyltetrazol-2-yl)pyridazine-4-carboxylic acid has a molecular weight of 268.24 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyltetrazol-2-yl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).