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

C10H16N4O — CID 106025151

IUPAC3-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrazin-2-one
SMILESCN1CCCC1CNc1ncc[nH]c1=O
InChIInChI=1S/C10H16N4O/c1-14-6-2-3-8(14)7-13-9-10(15)12-5-4-11-9/h4-5,8H,2-3,6-7H2,1H3,(H,11,13)(H,12,15)
InChIKeyQZWNOQISBBWNBQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.28
Rot. Bonds3

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

3-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrazin-2-one (PubChem CID 106025151) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrazin-2-one
PubChem CID106025151
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrazin-2-one
SMILESCN1CCCC1CNc1ncc[nH]c1=O
InChIInChI=1S/C10H16N4O/c1-14-6-2-3-8(14)7-13-9-10(15)12-5-4-11-9/h4-5,8H,2-3,6-7H2,1H3,(H,11,13)(H,12,15)
InChIKeyQZWNOQISBBWNBQ-UHFFFAOYSA-N
XLogP0.28
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]pyrazin-2-one
CID 103702752
5-chloro-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975083
3-[(2-methylcyclohexyl)methylamino]-1H-pyrazin-2-one
CID 115657213
5-methoxy-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975085
4-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 106022164
3-(oxan-3-ylmethylamino)-1H-pyrazin-2-one
CID 115657139
2-[2-[2-[[(2-oxo-1H-pyrazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126938291
3,5-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 106026698
2-tert-butyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 106026820
3-[(1,1-dioxothiolan-3-yl)methylamino]-1H-pyrazin-2-one
CID 115650209
3-[2-[(tert-butylamino)methyl]pyrrolidin-1-yl]-1H-pyrazin-2-one
CID 114571269
6-amino-7-[(1-methylpyrrolidin-2-yl)methylamino]-3H-quinazolin-4-one
CID 136731490

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrazin-2-one?
The IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrazin-2-one (CID 106025151) is 3-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrazin-2-one is CN1CCCC1CNc1ncc[nH]c1=O.
What is the InChIKey of 3-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrazin-2-one?
The InChIKey is QZWNOQISBBWNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-14-6-2-3-8(14)7-13-9-10(15)12-5-4-11-9/h4-5,8H,2-3,6-7H2,1H3,(H,11,13)(H,12,15).
What are the key properties of 3-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrazin-2-one?
3-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrazin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrazin-2-one is sourced from PubChem (CID 106025151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).