3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one

C9H14N4O — CID 94897001

IUPAC3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CC[C@H](N)C2)c1=O
InChIInChI=1S/C9H14N4O/c1-12-5-3-11-8(9(12)14)13-4-2-7(10)6-13/h3,5,7H,2,4,6,10H2,1H3/t7-/m0/s1
InChIKeyZMFGUPPXWFIXBS-ZETCQYMHSA-N
MW194.24 g/mol
LogP-0.68
Rot. Bonds1

About 3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one

3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 94897001) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one
PubChem CID94897001
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CC[C@H](N)C2)c1=O
InChIInChI=1S/C9H14N4O/c1-12-5-3-11-8(9(12)14)13-4-2-7(10)6-13/h3,5,7H,2,4,6,10H2,1H3/t7-/m0/s1
InChIKeyZMFGUPPXWFIXBS-ZETCQYMHSA-N
XLogP-0.68
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-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-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one
CID 94896992
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 103696647
3-[3-(chloromethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 63390246
3-(3-aminopyrrolidin-1-yl)-1-ethylpyrazin-2-one
CID 62928142
3-(3-aminopyrrolidin-1-yl)-1-tert-butylpyrazin-2-one
CID 62927962
1-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 63267799
3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 62940456
methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate
CID 79033439
3-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-1-methylpyrazin-2-one
CID 62940977
3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 63596080
3-(3-hydroxypiperidin-1-yl)-1-methylpyrazin-2-one
CID 62940622
3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 166604873

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one (CID 94897001) is 3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CC[C@H](N)C2)c1=O.
What is the InChIKey of 3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is ZMFGUPPXWFIXBS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N4O/c1-12-5-3-11-8(9(12)14)13-4-2-7(10)6-13/h3,5,7H,2,4,6,10H2,1H3/t7-/m0/s1.
What are the key properties of 3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one?
3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 94897001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).