3-[azepan-4-yl(methyl)amino]-1-ethylpyrazin-2-one

C13H22N4O — CID 107174149

IUPAC3-[azepan-4-yl(methyl)amino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N(C)C2CCCNCC2)c1=O
InChIInChI=1S/C13H22N4O/c1-3-17-10-9-15-12(13(17)18)16(2)11-5-4-7-14-8-6-11/h9-11,14H,3-8H2,1-2H3
InChIKeyFNWVBVZUZZMYRO-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.84
Rot. Bonds3

About 3-[azepan-4-yl(methyl)amino]-1-ethylpyrazin-2-one

3-[azepan-4-yl(methyl)amino]-1-ethylpyrazin-2-one (PubChem CID 107174149) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[azepan-4-yl(methyl)amino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[azepan-4-yl(methyl)amino]-1-ethylpyrazin-2-one
PubChem CID107174149
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[azepan-4-yl(methyl)amino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N(C)C2CCCNCC2)c1=O
InChIInChI=1S/C13H22N4O/c1-3-17-10-9-15-12(13(17)18)16(2)11-5-4-7-14-8-6-11/h9-11,14H,3-8H2,1-2H3
InChIKeyFNWVBVZUZZMYRO-UHFFFAOYSA-N
XLogP0.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-yl(methyl)amino]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[azepan-4-yl(methyl)amino]-1-ethylpyrazin-2-one (CID 107174149) is 3-[azepan-4-yl(methyl)amino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[azepan-4-yl(methyl)amino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[azepan-4-yl(methyl)amino]-1-ethylpyrazin-2-one is CCn1ccnc(N(C)C2CCCNCC2)c1=O.
What is the InChIKey of 3-[azepan-4-yl(methyl)amino]-1-ethylpyrazin-2-one?
The InChIKey is FNWVBVZUZZMYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-17-10-9-15-12(13(17)18)16(2)11-5-4-7-14-8-6-11/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 3-[azepan-4-yl(methyl)amino]-1-ethylpyrazin-2-one?
3-[azepan-4-yl(methyl)amino]-1-ethylpyrazin-2-one has a molecular weight of 250.35 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[azepan-4-yl(methyl)amino]-1-ethylpyrazin-2-one is sourced from PubChem (CID 107174149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).