4-(2-methyl-1,2,4-triazol-3-yl)pyrrolidin-2-one

C7H10N4O — CID 67746874

IUPAC4-(2-methyl-1,2,4-triazol-3-yl)pyrrolidin-2-one
SMILESCn1ncnc1C1CNC(=O)C1
InChIInChI=1S/C7H10N4O/c1-11-7(9-4-10-11)5-2-6(12)8-3-5/h4-5H,2-3H2,1H3,(H,8,12)
InChIKeyHSAINHNWMHJJBM-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.58
Rot. Bonds1

About 4-(2-methyl-1,2,4-triazol-3-yl)pyrrolidin-2-one

4-(2-methyl-1,2,4-triazol-3-yl)pyrrolidin-2-one (PubChem CID 67746874) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-(2-methyl-1,2,4-triazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-methyl-1,2,4-triazol-3-yl)pyrrolidin-2-one
PubChem CID67746874
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name4-(2-methyl-1,2,4-triazol-3-yl)pyrrolidin-2-one
SMILESCn1ncnc1C1CNC(=O)C1
InChIInChI=1S/C7H10N4O/c1-11-7(9-4-10-11)5-2-6(12)8-3-5/h4-5H,2-3H2,1H3,(H,8,12)
InChIKeyHSAINHNWMHJJBM-UHFFFAOYSA-N
XLogP-0.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,2,4-triazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-(2-methyl-1,2,4-triazol-3-yl)pyrrolidin-2-one (CID 67746874) is 4-(2-methyl-1,2,4-triazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2-methyl-1,2,4-triazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(2-methyl-1,2,4-triazol-3-yl)pyrrolidin-2-one is Cn1ncnc1C1CNC(=O)C1.
What is the InChIKey of 4-(2-methyl-1,2,4-triazol-3-yl)pyrrolidin-2-one?
The InChIKey is HSAINHNWMHJJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-11-7(9-4-10-11)5-2-6(12)8-3-5/h4-5H,2-3H2,1H3,(H,8,12).
What are the key properties of 4-(2-methyl-1,2,4-triazol-3-yl)pyrrolidin-2-one?
4-(2-methyl-1,2,4-triazol-3-yl)pyrrolidin-2-one has a molecular weight of 166.18 g/mol, XLogP of -0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,2,4-triazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 67746874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).