3-[(4-ethylcyclohexyl)amino]-1-propan-2-ylpyrazin-2-one

C15H25N3O — CID 55157566

IUPAC3-[(4-ethylcyclohexyl)amino]-1-propan-2-ylpyrazin-2-one
SMILESCCC1CCC(Nc2nccn(C(C)C)c2=O)CC1
InChIInChI=1S/C15H25N3O/c1-4-12-5-7-13(8-6-12)17-14-15(19)18(11(2)3)10-9-16-14/h9-13H,4-8H2,1-3H3,(H,16,17)
InChIKeySJJBCZQISAFTKV-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.20
Rot. Bonds4

About 3-[(4-ethylcyclohexyl)amino]-1-propan-2-ylpyrazin-2-one

3-[(4-ethylcyclohexyl)amino]-1-propan-2-ylpyrazin-2-one (PubChem CID 55157566) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[(4-ethylcyclohexyl)amino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[(4-ethylcyclohexyl)amino]-1-propan-2-ylpyrazin-2-one
PubChem CID55157566
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[(4-ethylcyclohexyl)amino]-1-propan-2-ylpyrazin-2-one
SMILESCCC1CCC(Nc2nccn(C(C)C)c2=O)CC1
InChIInChI=1S/C15H25N3O/c1-4-12-5-7-13(8-6-12)17-14-15(19)18(11(2)3)10-9-16-14/h9-13H,4-8H2,1-3H3,(H,16,17)
InChIKeySJJBCZQISAFTKV-UHFFFAOYSA-N
XLogP3.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-ethylcyclohexyl)amino]-1-propan-2-ylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylcyclohexyl)amino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[(4-ethylcyclohexyl)amino]-1-propan-2-ylpyrazin-2-one (CID 55157566) is 3-[(4-ethylcyclohexyl)amino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[(4-ethylcyclohexyl)amino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[(4-ethylcyclohexyl)amino]-1-propan-2-ylpyrazin-2-one is CCC1CCC(Nc2nccn(C(C)C)c2=O)CC1.
What is the InChIKey of 3-[(4-ethylcyclohexyl)amino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is SJJBCZQISAFTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-12-5-7-13(8-6-12)17-14-15(19)18(11(2)3)10-9-16-14/h9-13H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 3-[(4-ethylcyclohexyl)amino]-1-propan-2-ylpyrazin-2-one?
3-[(4-ethylcyclohexyl)amino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 263.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylcyclohexyl)amino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 55157566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).