4-propan-2-yl-1,2-dihydropyrazin-3-one

C7H12N2O — CID 58345348

IUPAC4-propan-2-yl-1,2-dihydropyrazin-3-one
SMILESCC(C)N1C=CNCC1=O
InChIInChI=1S/C7H12N2O/c1-6(2)9-4-3-8-5-7(9)10/h3-4,6,8H,5H2,1-2H3
InChIKeyHFPDOLLUUJKIHA-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.30
Rot. Bonds1

About 4-propan-2-yl-1,2-dihydropyrazin-3-one

4-propan-2-yl-1,2-dihydropyrazin-3-one (PubChem CID 58345348) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-propan-2-yl-1,2-dihydropyrazin-3-one.

Molecular Properties

Compound Name4-propan-2-yl-1,2-dihydropyrazin-3-one
PubChem CID58345348
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4-propan-2-yl-1,2-dihydropyrazin-3-one
SMILESCC(C)N1C=CNCC1=O
InChIInChI=1S/C7H12N2O/c1-6(2)9-4-3-8-5-7(9)10/h3-4,6,8H,5H2,1-2H3
InChIKeyHFPDOLLUUJKIHA-UHFFFAOYSA-N
XLogP0.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,2-dihydropyrazin-3-one?
The IUPAC name of 4-propan-2-yl-1,2-dihydropyrazin-3-one (CID 58345348) is 4-propan-2-yl-1,2-dihydropyrazin-3-one.
What is the SMILES notation for 4-propan-2-yl-1,2-dihydropyrazin-3-one?
The canonical SMILES for 4-propan-2-yl-1,2-dihydropyrazin-3-one is CC(C)N1C=CNCC1=O.
What is the InChIKey of 4-propan-2-yl-1,2-dihydropyrazin-3-one?
The InChIKey is HFPDOLLUUJKIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6(2)9-4-3-8-5-7(9)10/h3-4,6,8H,5H2,1-2H3.
What are the key properties of 4-propan-2-yl-1,2-dihydropyrazin-3-one?
4-propan-2-yl-1,2-dihydropyrazin-3-one has a molecular weight of 140.19 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,2-dihydropyrazin-3-one is sourced from PubChem (CID 58345348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).