4-amino-1-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-2-one

C12H13N5O — CID 168700637

IUPAC4-amino-1-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccc(-n3cncn3)cc2)C1
InChIInChI=1S/C12H13N5O/c13-9-5-12(18)16(6-9)10-1-3-11(4-2-10)17-8-14-7-15-17/h1-4,7-9H,5-6,13H2
InChIKeySBJFCCZCWGSBNG-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.33
Rot. Bonds2

About 4-amino-1-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-2-one

4-amino-1-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-2-one (PubChem CID 168700637) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-amino-1-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-2-one
PubChem CID168700637
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name4-amino-1-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccc(-n3cncn3)cc2)C1
InChIInChI=1S/C12H13N5O/c13-9-5-12(18)16(6-9)10-1-3-11(4-2-10)17-8-14-7-15-17/h1-4,7-9H,5-6,13H2
InChIKeySBJFCCZCWGSBNG-UHFFFAOYSA-N
XLogP0.33
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-1-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-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

5-oxo-1-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-sulfonyl fluoride
CID 168715480
4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 53433785
4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride
CID 138958614
4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 43521061
4-amino-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one
CID 168699241
4-(aminomethyl)-1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168661198
4-amino-1-(4-benzylphenyl)pyrrolidin-2-one
CID 168701095
4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one
CID 43521146
4-amino-1-[4-(2-methylpropyl)phenyl]pyrrolidin-2-one
CID 82495819
4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one
CID 168699360
1-(4-ethylphenyl)-5-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 43030681
4-(bromomethyl)-1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168506098

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-2-one (CID 168700637) is 4-amino-1-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-2-one is NC1CC(=O)N(c2ccc(-n3cncn3)cc2)C1.
What is the InChIKey of 4-amino-1-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-2-one?
The InChIKey is SBJFCCZCWGSBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c13-9-5-12(18)16(6-9)10-1-3-11(4-2-10)17-8-14-7-15-17/h1-4,7-9H,5-6,13H2.
What are the key properties of 4-amino-1-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-2-one?
4-amino-1-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-2-one has a molecular weight of 243.27 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168700637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).