6-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridazine-4-carbonitrile

C9H7N5O — CID 90210983

IUPAC6-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridazine-4-carbonitrile
SMILESCc1cc(=O)n(-c2cc(C#N)cnn2)[nH]1
InChIInChI=1S/C9H7N5O/c1-6-2-9(15)14(13-6)8-3-7(4-10)5-11-12-8/h2-3,5,13H,1H3
InChIKeyKCUFKQRKNANEIQ-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.14
Rot. Bonds1

About 6-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridazine-4-carbonitrile

6-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridazine-4-carbonitrile (PubChem CID 90210983) has the molecular formula C9H7N5O and a molecular weight of 201.19 g/mol. Its IUPAC name is 6-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name6-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridazine-4-carbonitrile
PubChem CID90210983
Molecular FormulaC9H7N5O
Molecular Weight201.19 g/mol
Exact Mass201.07
IUPAC Name6-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridazine-4-carbonitrile
SMILESCc1cc(=O)n(-c2cc(C#N)cnn2)[nH]1
InChIInChI=1S/C9H7N5O/c1-6-2-9(15)14(13-6)8-3-7(4-10)5-11-12-8/h2-3,5,13H,1H3
InChIKeyKCUFKQRKNANEIQ-UHFFFAOYSA-N
XLogP0.14
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridazine-4-carbonitrile?
The IUPAC name of 6-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridazine-4-carbonitrile (CID 90210983) is 6-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridazine-4-carbonitrile.
What is the SMILES notation for 6-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridazine-4-carbonitrile?
The canonical SMILES for 6-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridazine-4-carbonitrile is Cc1cc(=O)n(-c2cc(C#N)cnn2)[nH]1.
What is the InChIKey of 6-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridazine-4-carbonitrile?
The InChIKey is KCUFKQRKNANEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O/c1-6-2-9(15)14(13-6)8-3-7(4-10)5-11-12-8/h2-3,5,13H,1H3.
What are the key properties of 6-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridazine-4-carbonitrile?
6-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridazine-4-carbonitrile has a molecular weight of 201.19 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridazine-4-carbonitrile is sourced from PubChem (CID 90210983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).