N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide

C14H18FN5O — CID 3231000

IUPACN-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide
SMILESCN(C)CCNC(=O)c1cn(Cc2ccc(F)cc2)nn1
InChIInChI=1S/C14H18FN5O/c1-19(2)8-7-16-14(21)13-10-20(18-17-13)9-11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,16,21)
InChIKeyUETUWKMXJBTKCS-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.76
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide

N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide (PubChem CID 3231000) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide
PubChem CID3231000
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC NameN-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide
SMILESCN(C)CCNC(=O)c1cn(Cc2ccc(F)cc2)nn1
InChIInChI=1S/C14H18FN5O/c1-19(2)8-7-16-14(21)13-10-20(18-17-13)9-11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,16,21)
InChIKeyUETUWKMXJBTKCS-UHFFFAOYSA-N
XLogP0.76
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]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

Related Compounds

1-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]triazole-4-carboxamide
CID 6488121
N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide
CID 6483908
1-[(4-fluorophenyl)methyl]-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]triazole-4-carboxamide
CID 42098052
1-[(4-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 53333432
N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide
CID 35052567
ethyl 4-[[1-[(4-fluorophenyl)methyl]triazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 42403773
N-[2-(ethylamino)ethyl]-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119506466
N-[2-(dimethylamino)ethyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
CID 53332712
1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide
CID 24633183
N-[2-(dimethylamino)ethyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
CID 46043620
N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109115425
1-[(4-fluorophenyl)methyl]-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]triazole-4-carboxamide
CID 42199626

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide (CID 3231000) is N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide is CN(C)CCNC(=O)c1cn(Cc2ccc(F)cc2)nn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide?
The InChIKey is UETUWKMXJBTKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-19(2)8-7-16-14(21)13-10-20(18-17-13)9-11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,16,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide?
N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 3231000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).