1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one

C9H11N5O2 — CID 22969728

IUPAC1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one
SMILESCc1nonc1CNc1nccn(C)c1=O
InChIInChI=1S/C9H11N5O2/c1-6-7(13-16-12-6)5-11-8-9(15)14(2)4-3-10-8/h3-4H,5H2,1-2H3,(H,10,11)
InChIKeyLMPGFWJWRMYUFM-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.08
Rot. Bonds3

About 1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one

1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one (PubChem CID 22969728) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one
PubChem CID22969728
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one
SMILESCc1nonc1CNc1nccn(C)c1=O
InChIInChI=1S/C9H11N5O2/c1-6-7(13-16-12-6)5-11-8-9(15)14(2)4-3-10-8/h3-4H,5H2,1-2H3,(H,10,11)
InChIKeyLMPGFWJWRMYUFM-UHFFFAOYSA-N
XLogP0.08
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one (CID 22969728) is 1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one is Cc1nonc1CNc1nccn(C)c1=O.
What is the InChIKey of 1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one?
The InChIKey is LMPGFWJWRMYUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-6-7(13-16-12-6)5-11-8-9(15)14(2)4-3-10-8/h3-4H,5H2,1-2H3,(H,10,11).
What are the key properties of 1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one?
1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one has a molecular weight of 221.22 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one is sourced from PubChem (CID 22969728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).