3-[4-(pyridin-4-ylamino)phenyl]-1H-pyridazin-6-one

C15H12N4O — CID 3062534

IUPAC3-[4-(pyridin-4-ylamino)phenyl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(Nc3ccncc3)cc2)n[nH]1
InChIInChI=1S/C15H12N4O/c20-15-6-5-14(18-19-15)11-1-3-12(4-2-11)17-13-7-9-16-10-8-13/h1-10H,(H,16,17)(H,19,20)
InChIKeyNFQUZCPMNKGLCN-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.58
Rot. Bonds3

About 3-[4-(pyridin-4-ylamino)phenyl]-1H-pyridazin-6-one

3-[4-(pyridin-4-ylamino)phenyl]-1H-pyridazin-6-one (PubChem CID 3062534) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-[4-(pyridin-4-ylamino)phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(pyridin-4-ylamino)phenyl]-1H-pyridazin-6-one
PubChem CID3062534
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name3-[4-(pyridin-4-ylamino)phenyl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(Nc3ccncc3)cc2)n[nH]1
InChIInChI=1S/C15H12N4O/c20-15-6-5-14(18-19-15)11-1-3-12(4-2-11)17-13-7-9-16-10-8-13/h1-10H,(H,16,17)(H,19,20)
InChIKeyNFQUZCPMNKGLCN-UHFFFAOYSA-N
XLogP2.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(pyridin-4-ylamino)phenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(pyridin-4-ylamino)phenyl]-1H-pyridazin-6-one (CID 3062534) is 3-[4-(pyridin-4-ylamino)phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(pyridin-4-ylamino)phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(pyridin-4-ylamino)phenyl]-1H-pyridazin-6-one is O=c1ccc(-c2ccc(Nc3ccncc3)cc2)n[nH]1.
What is the InChIKey of 3-[4-(pyridin-4-ylamino)phenyl]-1H-pyridazin-6-one?
The InChIKey is NFQUZCPMNKGLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c20-15-6-5-14(18-19-15)11-1-3-12(4-2-11)17-13-7-9-16-10-8-13/h1-10H,(H,16,17)(H,19,20).
What are the key properties of 3-[4-(pyridin-4-ylamino)phenyl]-1H-pyridazin-6-one?
3-[4-(pyridin-4-ylamino)phenyl]-1H-pyridazin-6-one has a molecular weight of 264.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(pyridin-4-ylamino)phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 3062534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).