1-(4-methylphenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]triazole-4-carboxamide

C17H23N5O — CID 162659709

IUPAC1-(4-methylphenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCCC3CCCN3C)nn2)cc1
InChIInChI=1S/C17H23N5O/c1-13-5-7-15(8-6-13)22-12-16(19-20-22)17(23)18-10-9-14-4-3-11-21(14)2/h5-8,12,14H,3-4,9-11H2,1-2H3,(H,18,23)
InChIKeyKSVSVIAYGJNSAR-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.79
Rot. Bonds5

About 1-(4-methylphenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]triazole-4-carboxamide

1-(4-methylphenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]triazole-4-carboxamide (PubChem CID 162659709) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]triazole-4-carboxamide
PubChem CID162659709
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name1-(4-methylphenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCCC3CCCN3C)nn2)cc1
InChIInChI=1S/C17H23N5O/c1-13-5-7-15(8-6-13)22-12-16(19-20-22)17(23)18-10-9-14-4-3-11-21(14)2/h5-8,12,14H,3-4,9-11H2,1-2H3,(H,18,23)
InChIKeyKSVSVIAYGJNSAR-UHFFFAOYSA-N
XLogP1.79
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methylphenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]triazole-4-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 1-(4-methylphenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]triazole-4-carboxamide (CID 162659709) is 1-(4-methylphenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]triazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)NCCC3CCCN3C)nn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]triazole-4-carboxamide?
The InChIKey is KSVSVIAYGJNSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-5-7-15(8-6-13)22-12-16(19-20-22)17(23)18-10-9-14-4-3-11-21(14)2/h5-8,12,14H,3-4,9-11H2,1-2H3,(H,18,23).
What are the key properties of 1-(4-methylphenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]triazole-4-carboxamide?
1-(4-methylphenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]triazole-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 162659709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).