3-(azepan-4-ylamino)-1-ethylpyrazin-2-one

C12H20N4O — CID 107173740

IUPAC3-(azepan-4-ylamino)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NC2CCCNCC2)c1=O
InChIInChI=1S/C12H20N4O/c1-2-16-9-8-14-11(12(16)17)15-10-4-3-6-13-7-5-10/h8-10,13H,2-7H2,1H3,(H,14,15)
InChIKeyFBAZHMAPARZSKP-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.82
Rot. Bonds3

About 3-(azepan-4-ylamino)-1-ethylpyrazin-2-one

3-(azepan-4-ylamino)-1-ethylpyrazin-2-one (PubChem CID 107173740) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-(azepan-4-ylamino)-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-(azepan-4-ylamino)-1-ethylpyrazin-2-one
PubChem CID107173740
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-(azepan-4-ylamino)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NC2CCCNCC2)c1=O
InChIInChI=1S/C12H20N4O/c1-2-16-9-8-14-11(12(16)17)15-10-4-3-6-13-7-5-10/h8-10,13H,2-7H2,1H3,(H,14,15)
InChIKeyFBAZHMAPARZSKP-UHFFFAOYSA-N
XLogP0.82
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(azepan-4-ylamino)-1-ethylpyrazin-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

Related Compounds

3-(Cyclopentylamino)-1-propyl-1,2-dihydropyrazin-2-one
CID 53015089
3-(4-Aminopiperidin-1-yl)-1-ethyl-1,2-dihydropyrazin-2-one
CID 62939070
3-(3-Aminopiperidin-1-yl)-1-methyl-1,2-dihydropyrazin-2-one
CID 62939235
3-[(Propan-2-yl)amino]-1-propyl-1,2-dihydropyrazin-2-one
CID 53015090
1-(Propan-2-yl)-3-(propylamino)-1,2-dihydropyrazin-2-one
CID 53015093
3-(cyclohexylamino)-1-ethyl-2(1H)-pyrazinone
CID 53015097
3-(Cyclopentylamino)-1-ethyl-1,2-dihydropyrazin-2-one
CID 53015099
3-(Cyclopentylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 53015104
3-(Azepan-1-YL)-1-cyclopropyl-1,2-dihydropyrazin-2-one
CID 53015080
3-(Cycloheptylamino)-1-ethyl-1,2-dihydropyrazin-2-one
CID 53015096
3-(4-Aminopiperidin-1-yl)-1-methyl-1,2-dihydropyrazin-2-one
CID 62938496
1-Propan-2-yl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one
CID 115520672

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-4-ylamino)-1-ethylpyrazin-2-one?
The IUPAC name of 3-(azepan-4-ylamino)-1-ethylpyrazin-2-one (CID 107173740) is 3-(azepan-4-ylamino)-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-(azepan-4-ylamino)-1-ethylpyrazin-2-one?
The canonical SMILES for 3-(azepan-4-ylamino)-1-ethylpyrazin-2-one is CCn1ccnc(NC2CCCNCC2)c1=O.
What is the InChIKey of 3-(azepan-4-ylamino)-1-ethylpyrazin-2-one?
The InChIKey is FBAZHMAPARZSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-16-9-8-14-11(12(16)17)15-10-4-3-6-13-7-5-10/h8-10,13H,2-7H2,1H3,(H,14,15).
What are the key properties of 3-(azepan-4-ylamino)-1-ethylpyrazin-2-one?
3-(azepan-4-ylamino)-1-ethylpyrazin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-4-ylamino)-1-ethylpyrazin-2-one is sourced from PubChem (CID 107173740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).