3-[(1-methylcyclopropyl)methylamino]-1H-pyrazin-2-one

C9H13N3O — CID 103724924

IUPAC3-[(1-methylcyclopropyl)methylamino]-1H-pyrazin-2-one
SMILESCC1(CNc2ncc[nH]c2=O)CC1
InChIInChI=1S/C9H13N3O/c1-9(2-3-9)6-12-7-8(13)11-5-4-10-7/h4-5H,2-3,6H2,1H3,(H,10,12)(H,11,13)
InChIKeyPKCHYPHHPIFRHW-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.98
Rot. Bonds3

About 3-[(1-methylcyclopropyl)methylamino]-1H-pyrazin-2-one

3-[(1-methylcyclopropyl)methylamino]-1H-pyrazin-2-one (PubChem CID 103724924) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-[(1-methylcyclopropyl)methylamino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(1-methylcyclopropyl)methylamino]-1H-pyrazin-2-one
PubChem CID103724924
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-[(1-methylcyclopropyl)methylamino]-1H-pyrazin-2-one
SMILESCC1(CNc2ncc[nH]c2=O)CC1
InChIInChI=1S/C9H13N3O/c1-9(2-3-9)6-12-7-8(13)11-5-4-10-7/h4-5H,2-3,6H2,1H3,(H,10,12)(H,11,13)
InChIKeyPKCHYPHHPIFRHW-UHFFFAOYSA-N
XLogP0.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-hydroxycyclopentyl)methylamino]-1H-pyrazin-2-one
CID 115677846
3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one
CID 115897525
3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one
CID 114568070
3-(dodecylamino)-1H-pyrazin-2-one
CID 146198869
3-[(3-methoxy-2-methylpropyl)amino]-1H-pyrazin-2-one
CID 115657236
5-bromo-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136857191
3-[(3,3-dimethylcyclopentyl)amino]-1H-pyrazin-2-one
CID 115880977
2-[(2-oxo-1H-pyrazin-3-yl)amino]-N-propan-2-ylacetamide
CID 115650193
3-[(3,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one
CID 114569134
3-[(2-methylcyclohexyl)methylamino]-1H-pyrazin-2-one
CID 115657213
3-chloro-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine
CID 103748441
3-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrazin-2-one
CID 106025151

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylcyclopropyl)methylamino]-1H-pyrazin-2-one?
The IUPAC name of 3-[(1-methylcyclopropyl)methylamino]-1H-pyrazin-2-one (CID 103724924) is 3-[(1-methylcyclopropyl)methylamino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(1-methylcyclopropyl)methylamino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(1-methylcyclopropyl)methylamino]-1H-pyrazin-2-one is CC1(CNc2ncc[nH]c2=O)CC1.
What is the InChIKey of 3-[(1-methylcyclopropyl)methylamino]-1H-pyrazin-2-one?
The InChIKey is PKCHYPHHPIFRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-9(2-3-9)6-12-7-8(13)11-5-4-10-7/h4-5H,2-3,6H2,1H3,(H,10,12)(H,11,13).
What are the key properties of 3-[(1-methylcyclopropyl)methylamino]-1H-pyrazin-2-one?
3-[(1-methylcyclopropyl)methylamino]-1H-pyrazin-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylcyclopropyl)methylamino]-1H-pyrazin-2-one is sourced from PubChem (CID 103724924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).