5-amino-1-[6-(4-methoxyphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile

C15H12N6O — CID 82192590

IUPAC5-amino-1-[6-(4-methoxyphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile
SMILESCOc1ccc(-c2ccc(-n3ncc(C#N)c3N)nn2)cc1
InChIInChI=1S/C15H12N6O/c1-22-12-4-2-10(3-5-12)13-6-7-14(20-19-13)21-15(17)11(8-16)9-18-21/h2-7,9H,17H2,1H3
InChIKeyXMYLAAJYHDWSFK-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.79
Rot. Bonds3

About 5-amino-1-[6-(4-methoxyphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile

5-amino-1-[6-(4-methoxyphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile (PubChem CID 82192590) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is 5-amino-1-[6-(4-methoxyphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[6-(4-methoxyphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile
PubChem CID82192590
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name5-amino-1-[6-(4-methoxyphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile
SMILESCOc1ccc(-c2ccc(-n3ncc(C#N)c3N)nn2)cc1
InChIInChI=1S/C15H12N6O/c1-22-12-4-2-10(3-5-12)13-6-7-14(20-19-13)21-15(17)11(8-16)9-18-21/h2-7,9H,17H2,1H3
InChIKeyXMYLAAJYHDWSFK-UHFFFAOYSA-N
XLogP1.79
TPSA102.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[6-(4-methoxyphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[6-(4-methoxyphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile (CID 82192590) is 5-amino-1-[6-(4-methoxyphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[6-(4-methoxyphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[6-(4-methoxyphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile is COc1ccc(-c2ccc(-n3ncc(C#N)c3N)nn2)cc1.
What is the InChIKey of 5-amino-1-[6-(4-methoxyphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile?
The InChIKey is XMYLAAJYHDWSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O/c1-22-12-4-2-10(3-5-12)13-6-7-14(20-19-13)21-15(17)11(8-16)9-18-21/h2-7,9H,17H2,1H3.
What are the key properties of 5-amino-1-[6-(4-methoxyphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile?
5-amino-1-[6-(4-methoxyphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile has a molecular weight of 292.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[6-(4-methoxyphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 82192590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).