6-benzyl-3-propyl-1H-pyrazin-2-one

C14H16N2O — CID 146367980

IUPAC6-benzyl-3-propyl-1H-pyrazin-2-one
SMILESCCCc1ncc(Cc2ccccc2)[nH]c1=O
InChIInChI=1S/C14H16N2O/c1-2-6-13-14(17)16-12(10-15-13)9-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,16,17)
InChIKeyMSWUTVQIPBISDF-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.31
Rot. Bonds4

About 6-benzyl-3-propyl-1H-pyrazin-2-one

6-benzyl-3-propyl-1H-pyrazin-2-one (PubChem CID 146367980) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 6-benzyl-3-propyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-benzyl-3-propyl-1H-pyrazin-2-one
PubChem CID146367980
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name6-benzyl-3-propyl-1H-pyrazin-2-one
SMILESCCCc1ncc(Cc2ccccc2)[nH]c1=O
InChIInChI=1S/C14H16N2O/c1-2-6-13-14(17)16-12(10-15-13)9-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,16,17)
InChIKeyMSWUTVQIPBISDF-UHFFFAOYSA-N
XLogP2.31
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-propyl-1H-pyrazin-2-one?
The IUPAC name of 6-benzyl-3-propyl-1H-pyrazin-2-one (CID 146367980) is 6-benzyl-3-propyl-1H-pyrazin-2-one.
What is the SMILES notation for 6-benzyl-3-propyl-1H-pyrazin-2-one?
The canonical SMILES for 6-benzyl-3-propyl-1H-pyrazin-2-one is CCCc1ncc(Cc2ccccc2)[nH]c1=O.
What is the InChIKey of 6-benzyl-3-propyl-1H-pyrazin-2-one?
The InChIKey is MSWUTVQIPBISDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-6-13-14(17)16-12(10-15-13)9-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,16,17).
What are the key properties of 6-benzyl-3-propyl-1H-pyrazin-2-one?
6-benzyl-3-propyl-1H-pyrazin-2-one has a molecular weight of 228.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-propyl-1H-pyrazin-2-one is sourced from PubChem (CID 146367980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).