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

C13H15N3O — CID 70078823

IUPAC5-[4-(propylamino)phenyl]-1H-pyrazin-2-one
SMILESCCCNc1ccc(-c2c[nH]c(=O)cn2)cc1
InChIInChI=1S/C13H15N3O/c1-2-7-14-11-5-3-10(4-6-11)12-8-16-13(17)9-15-12/h3-6,8-9,14H,2,7H2,1H3,(H,16,17)
InChIKeyMDBGNBXXZWYOEX-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.26
Rot. Bonds4

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

5-[4-(propylamino)phenyl]-1H-pyrazin-2-one (PubChem CID 70078823) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-[4-(propylamino)phenyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[4-(propylamino)phenyl]-1H-pyrazin-2-one
PubChem CID70078823
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-[4-(propylamino)phenyl]-1H-pyrazin-2-one
SMILESCCCNc1ccc(-c2c[nH]c(=O)cn2)cc1
InChIInChI=1S/C13H15N3O/c1-2-7-14-11-5-3-10(4-6-11)12-8-16-13(17)9-15-12/h3-6,8-9,14H,2,7H2,1H3,(H,16,17)
InChIKeyMDBGNBXXZWYOEX-UHFFFAOYSA-N
XLogP2.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(propylamino)phenyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[4-(propylamino)phenyl]-1H-pyrazin-2-one (CID 70078823) is 5-[4-(propylamino)phenyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[4-(propylamino)phenyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[4-(propylamino)phenyl]-1H-pyrazin-2-one is CCCNc1ccc(-c2c[nH]c(=O)cn2)cc1.
What is the InChIKey of 5-[4-(propylamino)phenyl]-1H-pyrazin-2-one?
The InChIKey is MDBGNBXXZWYOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-7-14-11-5-3-10(4-6-11)12-8-16-13(17)9-15-12/h3-6,8-9,14H,2,7H2,1H3,(H,16,17).
What are the key properties of 5-[4-(propylamino)phenyl]-1H-pyrazin-2-one?
5-[4-(propylamino)phenyl]-1H-pyrazin-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(propylamino)phenyl]-1H-pyrazin-2-one is sourced from PubChem (CID 70078823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).