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

C10H15N3O — CID 115657073

IUPAC1-methyl-3-[(2-methylcyclopropyl)methylamino]pyrazin-2-one
SMILESCC1CC1CNc1nccn(C)c1=O
InChIInChI=1S/C10H15N3O/c1-7-5-8(7)6-12-9-10(14)13(2)4-3-11-9/h3-4,7-8H,5-6H2,1-2H3,(H,11,12)
InChIKeyXJICMAQRRUNPAI-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.85
Rot. Bonds3

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

1-methyl-3-[(2-methylcyclopropyl)methylamino]pyrazin-2-one (PubChem CID 115657073) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-methyl-3-[(2-methylcyclopropyl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(2-methylcyclopropyl)methylamino]pyrazin-2-one
PubChem CID115657073
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-methyl-3-[(2-methylcyclopropyl)methylamino]pyrazin-2-one
SMILESCC1CC1CNc1nccn(C)c1=O
InChIInChI=1S/C10H15N3O/c1-7-5-8(7)6-12-9-10(14)13(2)4-3-11-9/h3-4,7-8H,5-6H2,1-2H3,(H,11,12)
InChIKeyXJICMAQRRUNPAI-UHFFFAOYSA-N
XLogP0.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-methylcyclopropyl)methylamino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[(2-methylcyclopropyl)methylamino]pyrazin-2-one (CID 115657073) is 1-methyl-3-[(2-methylcyclopropyl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[(2-methylcyclopropyl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[(2-methylcyclopropyl)methylamino]pyrazin-2-one is CC1CC1CNc1nccn(C)c1=O.
What is the InChIKey of 1-methyl-3-[(2-methylcyclopropyl)methylamino]pyrazin-2-one?
The InChIKey is XJICMAQRRUNPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7-5-8(7)6-12-9-10(14)13(2)4-3-11-9/h3-4,7-8H,5-6H2,1-2H3,(H,11,12).
What are the key properties of 1-methyl-3-[(2-methylcyclopropyl)methylamino]pyrazin-2-one?
1-methyl-3-[(2-methylcyclopropyl)methylamino]pyrazin-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-methylcyclopropyl)methylamino]pyrazin-2-one is sourced from PubChem (CID 115657073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).