1-cyano-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide

C14H14N6O — CID 118980499

IUPAC1-cyano-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide
SMILESN#CN1CCC(C(=O)Nc2cn(-c3ccccc3)nn2)C1
InChIInChI=1S/C14H14N6O/c15-10-19-7-6-11(8-19)14(21)16-13-9-20(18-17-13)12-4-2-1-3-5-12/h1-5,9,11H,6-8H2,(H,16,21)
InChIKeyHISADVKXSOJWQN-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.01
Rot. Bonds3

About 1-cyano-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide

1-cyano-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 118980499) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-cyano-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID118980499
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name1-cyano-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide
SMILESN#CN1CCC(C(=O)Nc2cn(-c3ccccc3)nn2)C1
InChIInChI=1S/C14H14N6O/c15-10-19-7-6-11(8-19)14(21)16-13-9-20(18-17-13)12-4-2-1-3-5-12/h1-5,9,11H,6-8H2,(H,16,21)
InChIKeyHISADVKXSOJWQN-UHFFFAOYSA-N
XLogP1.01
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze 1-cyano-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide 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

1-cyano-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 118980441
1-cyano-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 118980507
1-cyano-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 118981045
N-(1-benzylimidazol-4-yl)-1-cyanopyrrolidine-3-carboxamide
CID 118981254
(3S)-N-(1-benzylpyrrol-3-yl)-1-cyanopyrrolidine-3-carboxamide
CID 172675537
(3S)-1-cyano-N-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]pyrrolidine-3-carboxamide
CID 118981155
1-cyano-N-[4-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 118980548
3-[[(3S)-1-cyanopyrrolidine-3-carbonyl]amino]isoquinoline-6-carboxamide
CID 118980660
N-(1-phenyltriazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 167874848
(3S)-1-cyano-N-[1-(1H-indazol-6-yl)imidazol-4-yl]pyrrolidine-3-carboxamide
CID 118980679
(3S)-1-cyano-N-[6-(3,6-dimethoxypyridazin-4-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide
CID 118980667
N-(1-cyanopyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide
CID 134363588

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyano-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide (CID 118980499) is 1-cyano-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyano-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyano-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide is N#CN1CCC(C(=O)Nc2cn(-c3ccccc3)nn2)C1.
What is the InChIKey of 1-cyano-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is HISADVKXSOJWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c15-10-19-7-6-11(8-19)14(21)16-13-9-20(18-17-13)12-4-2-1-3-5-12/h1-5,9,11H,6-8H2,(H,16,21).
What are the key properties of 1-cyano-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide?
1-cyano-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 118980499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).