(2R)-1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide

C14H17N5O — CID 97158502

IUPAC(2R)-1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1Cc1ncn(-c2ccccc2)n1
InChIInChI=1S/C14H17N5O/c15-14(20)12-7-4-8-18(12)9-13-16-10-19(17-13)11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2,(H2,15,20)/t12-/m1/s1
InChIKeyDWJODICXFUITBL-GFCCVEGCSA-N
MW271.32 g/mol
LogP0.72
Rot. Bonds4

About (2R)-1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide

(2R)-1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 97158502) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is (2R)-1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID97158502
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name(2R)-1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1Cc1ncn(-c2ccccc2)n1
InChIInChI=1S/C14H17N5O/c15-14(20)12-7-4-8-18(12)9-13-16-10-19(17-13)11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2,(H2,15,20)/t12-/m1/s1
InChIKeyDWJODICXFUITBL-GFCCVEGCSA-N
XLogP0.72
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide 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 (2R)-1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide (CID 97158502) is (2R)-1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1Cc1ncn(-c2ccccc2)n1.
What is the InChIKey of (2R)-1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is DWJODICXFUITBL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N5O/c15-14(20)12-7-4-8-18(12)9-13-16-10-19(17-13)11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2,(H2,15,20)/t12-/m1/s1.
What are the key properties of (2R)-1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide?
(2R)-1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 97158502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).