3-[(3-methylcyclohexyl)amino]-1-propylpyrazin-2-one

C14H23N3O — CID 62938620

IUPAC3-[(3-methylcyclohexyl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2CCCC(C)C2)c1=O
InChIInChI=1S/C14H23N3O/c1-3-8-17-9-7-15-13(14(17)18)16-12-6-4-5-11(2)10-12/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,15,16)
InChIKeyZPTRICPUPMMROY-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.64
Rot. Bonds4

About 3-[(3-methylcyclohexyl)amino]-1-propylpyrazin-2-one

3-[(3-methylcyclohexyl)amino]-1-propylpyrazin-2-one (PubChem CID 62938620) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[(3-methylcyclohexyl)amino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(3-methylcyclohexyl)amino]-1-propylpyrazin-2-one
PubChem CID62938620
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[(3-methylcyclohexyl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2CCCC(C)C2)c1=O
InChIInChI=1S/C14H23N3O/c1-3-8-17-9-7-15-13(14(17)18)16-12-6-4-5-11(2)10-12/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,15,16)
InChIKeyZPTRICPUPMMROY-UHFFFAOYSA-N
XLogP2.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylcyclohexyl)amino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(3-methylcyclohexyl)amino]-1-propylpyrazin-2-one (CID 62938620) is 3-[(3-methylcyclohexyl)amino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(3-methylcyclohexyl)amino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(3-methylcyclohexyl)amino]-1-propylpyrazin-2-one is CCCn1ccnc(NC2CCCC(C)C2)c1=O.
What is the InChIKey of 3-[(3-methylcyclohexyl)amino]-1-propylpyrazin-2-one?
The InChIKey is ZPTRICPUPMMROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-8-17-9-7-15-13(14(17)18)16-12-6-4-5-11(2)10-12/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,15,16).
What are the key properties of 3-[(3-methylcyclohexyl)amino]-1-propylpyrazin-2-one?
3-[(3-methylcyclohexyl)amino]-1-propylpyrazin-2-one has a molecular weight of 249.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylcyclohexyl)amino]-1-propylpyrazin-2-one is sourced from PubChem (CID 62938620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).