N-[3-(diethylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide

C17H25N5O — CID 162663698

IUPACN-[3-(diethylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cn(-c2ccc(C)cc2)nn1
InChIInChI=1S/C17H25N5O/c1-4-21(5-2)12-6-11-18-17(23)16-13-22(20-19-16)15-9-7-14(3)8-10-15/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,23)
InChIKeyKGQVFKLLPWTZHM-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.04
Rot. Bonds8

About N-[3-(diethylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide

N-[3-(diethylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 162663698) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID162663698
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-[3-(diethylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cn(-c2ccc(C)cc2)nn1
InChIInChI=1S/C17H25N5O/c1-4-21(5-2)12-6-11-18-17(23)16-13-22(20-19-16)15-9-7-14(3)8-10-15/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,23)
InChIKeyKGQVFKLLPWTZHM-UHFFFAOYSA-N
XLogP2.04
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(diethylamino)propyl]-1-(4-methylphenyl)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 N-[3-(diethylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide (CID 162663698) is N-[3-(diethylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide is CCN(CC)CCCNC(=O)c1cn(-c2ccc(C)cc2)nn1.
What is the InChIKey of N-[3-(diethylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is KGQVFKLLPWTZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-4-21(5-2)12-6-11-18-17(23)16-13-22(20-19-16)15-9-7-14(3)8-10-15/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,23).
What are the key properties of N-[3-(diethylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide?
N-[3-(diethylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 162663698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).