3-(4-methylazepan-1-yl)-1H-pyrazin-2-one

C11H17N3O — CID 115650237

IUPAC3-(4-methylazepan-1-yl)-1H-pyrazin-2-one
SMILESCC1CCCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C11H17N3O/c1-9-3-2-7-14(8-4-9)10-11(15)13-6-5-12-10/h5-6,9H,2-4,7-8H2,1H3,(H,13,15)
InChIKeyVETWCYSKSFZWPD-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.40
Rot. Bonds1

About 3-(4-methylazepan-1-yl)-1H-pyrazin-2-one

3-(4-methylazepan-1-yl)-1H-pyrazin-2-one (PubChem CID 115650237) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(4-methylazepan-1-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(4-methylazepan-1-yl)-1H-pyrazin-2-one
PubChem CID115650237
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(4-methylazepan-1-yl)-1H-pyrazin-2-one
SMILESCC1CCCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C11H17N3O/c1-9-3-2-7-14(8-4-9)10-11(15)13-6-5-12-10/h5-6,9H,2-4,7-8H2,1H3,(H,13,15)
InChIKeyVETWCYSKSFZWPD-UHFFFAOYSA-N
XLogP1.40
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylpiperidin-1-yl)-1H-pyrazin-2-one
CID 115650167
3-[4-(1-bromoethyl)piperidin-1-yl]-1H-pyrazin-2-one
CID 106838734
3-(4-ethoxypiperidin-1-yl)-1H-pyrazin-2-one
CID 115657150
3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one
CID 129394339
ethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate
CID 115650147
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one
CID 115684957
3-(4-benzylpiperidin-1-yl)-1H-pyrazin-2-one
CID 115650144
3-(7-azabicyclo[2.2.1]heptan-7-yl)-1H-pyrazin-2-one
CID 126856968
3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrazin-2-one
CID 114571263
2-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]oxyacetic acid
CID 114570494
3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 126887844
3-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129473564

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylazepan-1-yl)-1H-pyrazin-2-one?
The IUPAC name of 3-(4-methylazepan-1-yl)-1H-pyrazin-2-one (CID 115650237) is 3-(4-methylazepan-1-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(4-methylazepan-1-yl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(4-methylazepan-1-yl)-1H-pyrazin-2-one is CC1CCCN(c2ncc[nH]c2=O)CC1.
What is the InChIKey of 3-(4-methylazepan-1-yl)-1H-pyrazin-2-one?
The InChIKey is VETWCYSKSFZWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-3-2-7-14(8-4-9)10-11(15)13-6-5-12-10/h5-6,9H,2-4,7-8H2,1H3,(H,13,15).
What are the key properties of 3-(4-methylazepan-1-yl)-1H-pyrazin-2-one?
3-(4-methylazepan-1-yl)-1H-pyrazin-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylazepan-1-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 115650237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).