5-[4-(pyridin-4-ylamino)phenyl]-1H-pyrazin-2-one

C15H12N4O — CID 14774301

IUPAC5-[4-(pyridin-4-ylamino)phenyl]-1H-pyrazin-2-one
SMILESO=c1cnc(-c2ccc(Nc3ccncc3)cc2)c[nH]1
InChIInChI=1S/C15H12N4O/c20-15-10-17-14(9-18-15)11-1-3-12(4-2-11)19-13-5-7-16-8-6-13/h1-10H,(H,16,19)(H,18,20)
InChIKeyJCWDATFANCPGHC-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.58
Rot. Bonds3

About 5-[4-(pyridin-4-ylamino)phenyl]-1H-pyrazin-2-one

5-[4-(pyridin-4-ylamino)phenyl]-1H-pyrazin-2-one (PubChem CID 14774301) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-[4-(pyridin-4-ylamino)phenyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[4-(pyridin-4-ylamino)phenyl]-1H-pyrazin-2-one
PubChem CID14774301
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name5-[4-(pyridin-4-ylamino)phenyl]-1H-pyrazin-2-one
SMILESO=c1cnc(-c2ccc(Nc3ccncc3)cc2)c[nH]1
InChIInChI=1S/C15H12N4O/c20-15-10-17-14(9-18-15)11-1-3-12(4-2-11)19-13-5-7-16-8-6-13/h1-10H,(H,16,19)(H,18,20)
InChIKeyJCWDATFANCPGHC-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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(pyridin-4-ylamino)phenyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[4-(pyridin-4-ylamino)phenyl]-1H-pyrazin-2-one (CID 14774301) is 5-[4-(pyridin-4-ylamino)phenyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[4-(pyridin-4-ylamino)phenyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[4-(pyridin-4-ylamino)phenyl]-1H-pyrazin-2-one is O=c1cnc(-c2ccc(Nc3ccncc3)cc2)c[nH]1.
What is the InChIKey of 5-[4-(pyridin-4-ylamino)phenyl]-1H-pyrazin-2-one?
The InChIKey is JCWDATFANCPGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c20-15-10-17-14(9-18-15)11-1-3-12(4-2-11)19-13-5-7-16-8-6-13/h1-10H,(H,16,19)(H,18,20).
What are the key properties of 5-[4-(pyridin-4-ylamino)phenyl]-1H-pyrazin-2-one?
5-[4-(pyridin-4-ylamino)phenyl]-1H-pyrazin-2-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 5-[4-(pyridin-4-ylamino)phenyl]-1H-pyrazin-2-one is sourced from PubChem (CID 14774301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).