6-cyclopropyl-3-oxo-2-phenylpyridazine-4-carboxylic acid

C14H12N2O3 — CID 130447771

IUPAC6-cyclopropyl-3-oxo-2-phenylpyridazine-4-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)nn(-c2ccccc2)c1=O
InChIInChI=1S/C14H12N2O3/c17-13-11(14(18)19)8-12(9-6-7-9)15-16(13)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,18,19)
InChIKeyALLYUXKSUPXNBW-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.81
Rot. Bonds3

About 6-cyclopropyl-3-oxo-2-phenylpyridazine-4-carboxylic acid

6-cyclopropyl-3-oxo-2-phenylpyridazine-4-carboxylic acid (PubChem CID 130447771) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 6-cyclopropyl-3-oxo-2-phenylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-cyclopropyl-3-oxo-2-phenylpyridazine-4-carboxylic acid
PubChem CID130447771
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name6-cyclopropyl-3-oxo-2-phenylpyridazine-4-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)nn(-c2ccccc2)c1=O
InChIInChI=1S/C14H12N2O3/c17-13-11(14(18)19)8-12(9-6-7-9)15-16(13)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,18,19)
InChIKeyALLYUXKSUPXNBW-UHFFFAOYSA-N
XLogP1.81
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 9437858
2-[6-cyclopropyl-2-(3,4-dimethoxyphenyl)-3-oxopyridazine-4-carbonyl]-5-methylcyclohexane-1,3-dione;6-cyclopropyl-2-(3,4-dimethoxyphenyl)-3-oxopyridazine-4-carboxylic acid
CID 161371125
N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 27555772
4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-2-one
CID 31096480
2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
CID 2778369
1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663980
3-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxylic acid
CID 82376267
3-oxo-2-phenyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxylic acid
CID 138634201
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide
CID 71943773
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 51487785
3-cyclopropyl-N-(4-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 9462634
(4-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
CID 16557038

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-oxo-2-phenylpyridazine-4-carboxylic acid?
The IUPAC name of 6-cyclopropyl-3-oxo-2-phenylpyridazine-4-carboxylic acid (CID 130447771) is 6-cyclopropyl-3-oxo-2-phenylpyridazine-4-carboxylic acid.
What is the SMILES notation for 6-cyclopropyl-3-oxo-2-phenylpyridazine-4-carboxylic acid?
The canonical SMILES for 6-cyclopropyl-3-oxo-2-phenylpyridazine-4-carboxylic acid is O=C(O)c1cc(C2CC2)nn(-c2ccccc2)c1=O.
What is the InChIKey of 6-cyclopropyl-3-oxo-2-phenylpyridazine-4-carboxylic acid?
The InChIKey is ALLYUXKSUPXNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-13-11(14(18)19)8-12(9-6-7-9)15-16(13)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,18,19).
What are the key properties of 6-cyclopropyl-3-oxo-2-phenylpyridazine-4-carboxylic acid?
6-cyclopropyl-3-oxo-2-phenylpyridazine-4-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-oxo-2-phenylpyridazine-4-carboxylic acid is sourced from PubChem (CID 130447771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).