3-(oxan-3-ylmethylamino)-1H-pyrazin-2-one

C10H15N3O2 — CID 115657139

IUPAC3-(oxan-3-ylmethylamino)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1NCC1CCCOC1
InChIInChI=1S/C10H15N3O2/c14-10-9(11-3-4-12-10)13-6-8-2-1-5-15-7-8/h3-4,8H,1-2,5-7H2,(H,11,13)(H,12,14)
InChIKeyQOJUMKPAMTWBFH-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.61
Rot. Bonds3

About 3-(oxan-3-ylmethylamino)-1H-pyrazin-2-one

3-(oxan-3-ylmethylamino)-1H-pyrazin-2-one (PubChem CID 115657139) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(oxan-3-ylmethylamino)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(oxan-3-ylmethylamino)-1H-pyrazin-2-one
PubChem CID115657139
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-(oxan-3-ylmethylamino)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1NCC1CCCOC1
InChIInChI=1S/C10H15N3O2/c14-10-9(11-3-4-12-10)13-6-8-2-1-5-15-7-8/h3-4,8H,1-2,5-7H2,(H,11,13)(H,12,14)
InChIKeyQOJUMKPAMTWBFH-UHFFFAOYSA-N
XLogP0.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(oxan-3-ylmethylamino)-1H-pyrazin-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-[(1,1-dioxothiolan-3-yl)methylamino]-1H-pyrazin-2-one
CID 115650209
3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 61020967
3-[(2-methylcyclohexyl)methylamino]-1H-pyrazin-2-one
CID 115657213
3-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrazin-2-one
CID 106025151
N-[[(3R)-oxan-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 94180483
5-chloro-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136974507
1-(oxan-3-ylmethylamino)isoquinolin-7-ol
CID 106537797
3-(oxan-3-ylmethylamino)pyridazine-4-carboxylic acid
CID 80517608
2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813128
5-chloro-4-[[(3R)-oxan-3-yl]methylamino]-1H-pyridazin-6-one
CID 168962962
N-[[(3R)-oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 94194267
3-bromo-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine
CID 79535173

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-ylmethylamino)-1H-pyrazin-2-one?
The IUPAC name of 3-(oxan-3-ylmethylamino)-1H-pyrazin-2-one (CID 115657139) is 3-(oxan-3-ylmethylamino)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(oxan-3-ylmethylamino)-1H-pyrazin-2-one?
The canonical SMILES for 3-(oxan-3-ylmethylamino)-1H-pyrazin-2-one is O=c1[nH]ccnc1NCC1CCCOC1.
What is the InChIKey of 3-(oxan-3-ylmethylamino)-1H-pyrazin-2-one?
The InChIKey is QOJUMKPAMTWBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-10-9(11-3-4-12-10)13-6-8-2-1-5-15-7-8/h3-4,8H,1-2,5-7H2,(H,11,13)(H,12,14).
What are the key properties of 3-(oxan-3-ylmethylamino)-1H-pyrazin-2-one?
3-(oxan-3-ylmethylamino)-1H-pyrazin-2-one has a molecular weight of 209.25 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-ylmethylamino)-1H-pyrazin-2-one is sourced from PubChem (CID 115657139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).