1-methyl-3-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyrazin-2-one

C14H18N6O2 — CID 146126634

IUPAC1-methyl-3-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyrazin-2-one
SMILESCC1CC(Nc2nccn(C)c2=O)C(=O)N1c1cnn(C)c1
InChIInChI=1S/C14H18N6O2/c1-9-6-11(17-12-14(22)18(2)5-4-15-12)13(21)20(9)10-7-16-19(3)8-10/h4-5,7-9,11H,6H2,1-3H3,(H,15,17)
InChIKeyVQFSVKBHIZIWBI-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.12
Rot. Bonds3

About 1-methyl-3-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyrazin-2-one

1-methyl-3-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyrazin-2-one (PubChem CID 146126634) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-methyl-3-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyrazin-2-one
PubChem CID146126634
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name1-methyl-3-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyrazin-2-one
SMILESCC1CC(Nc2nccn(C)c2=O)C(=O)N1c1cnn(C)c1
InChIInChI=1S/C14H18N6O2/c1-9-6-11(17-12-14(22)18(2)5-4-15-12)13(21)20(9)10-7-16-19(3)8-10/h4-5,7-9,11H,6H2,1-3H3,(H,15,17)
InChIKeyVQFSVKBHIZIWBI-UHFFFAOYSA-N
XLogP0.12
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyrazin-2-one (CID 146126634) is 1-methyl-3-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyrazin-2-one is CC1CC(Nc2nccn(C)c2=O)C(=O)N1c1cnn(C)c1.
What is the InChIKey of 1-methyl-3-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyrazin-2-one?
The InChIKey is VQFSVKBHIZIWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-9-6-11(17-12-14(22)18(2)5-4-15-12)13(21)20(9)10-7-16-19(3)8-10/h4-5,7-9,11H,6H2,1-3H3,(H,15,17).
What are the key properties of 1-methyl-3-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyrazin-2-one?
1-methyl-3-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyrazin-2-one has a molecular weight of 302.34 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyrazin-2-one is sourced from PubChem (CID 146126634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).