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

C15H26N4O — CID 107174117

IUPAC3-[azepan-4-yl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N(C)C2CCCNCC2)c1=O
InChIInChI=1S/C15H26N4O/c1-12(2)11-19-10-9-17-14(15(19)20)18(3)13-5-4-7-16-8-6-13/h9-10,12-13,16H,4-8,11H2,1-3H3
InChIKeySTUMRGAWBBMQJZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.48
Rot. Bonds4

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

3-[azepan-4-yl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 107174117) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[azepan-4-yl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[azepan-4-yl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID107174117
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[azepan-4-yl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N(C)C2CCCNCC2)c1=O
InChIInChI=1S/C15H26N4O/c1-12(2)11-19-10-9-17-14(15(19)20)18(3)13-5-4-7-16-8-6-13/h9-10,12-13,16H,4-8,11H2,1-3H3
InChIKeySTUMRGAWBBMQJZ-UHFFFAOYSA-N
XLogP1.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl(piperidin-3-ylmethyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 106642835
3-[2-chloroethyl(cyclobutyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 102871723
3-[2-chloroethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 63388884
3-[2-bromoethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 80668768
1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one
CID 63644296
3-[cyclobutyl(methyl)amino]-1-methylpyrazin-2-one
CID 126856997
5-[azepan-4-yl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 107174264
3-[2-bromoethyl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 80676762
6-[azepan-4-yl(methyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 107174173
3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 133424352
N-methyl-N-(3-methylsulfonyl-2-pyridinyl)azepan-4-amine
CID 107174187
1-ethyl-3-[ethyl(piperidin-4-ylmethyl)amino]pyrazin-2-one
CID 79719452

Frequently Asked Questions

What is the IUPAC name of 3-[azepan-4-yl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[azepan-4-yl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one (CID 107174117) is 3-[azepan-4-yl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[azepan-4-yl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[azepan-4-yl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(N(C)C2CCCNCC2)c1=O.
What is the InChIKey of 3-[azepan-4-yl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is STUMRGAWBBMQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(2)11-19-10-9-17-14(15(19)20)18(3)13-5-4-7-16-8-6-13/h9-10,12-13,16H,4-8,11H2,1-3H3.
What are the key properties of 3-[azepan-4-yl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
3-[azepan-4-yl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 278.40 g/mol, XLogP of 1.48, 4 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-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 107174117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).