N,N-diethyl-1-phenyltriazole-4-carboxamide

C13H16N4O — CID 15048681

IUPACN,N-diethyl-1-phenyltriazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C13H16N4O/c1-3-16(4-2)13(18)12-10-17(15-14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKeyAWLXZBUTVBSUEC-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.75
Rot. Bonds4

About N,N-diethyl-1-phenyltriazole-4-carboxamide

N,N-diethyl-1-phenyltriazole-4-carboxamide (PubChem CID 15048681) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N,N-diethyl-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-phenyltriazole-4-carboxamide
PubChem CID15048681
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN,N-diethyl-1-phenyltriazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C13H16N4O/c1-3-16(4-2)13(18)12-10-17(15-14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKeyAWLXZBUTVBSUEC-UHFFFAOYSA-N
XLogP1.75
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-1H-1,2,3-triazole-4-carbaldehyde
CID 1478602
1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carbaldehyde
CID 11206299
[(1R)-3-methyl-1-[(1-phenyltriazole-4-carbonyl)amino]butyl]boronic acid
CID 155554765
N-(4-(dimethylamino)phenyl)-1,2,5-thiadiazole-3-carboxamide
CID 900724
N-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
CID 16663123
N-Phenyl-1H-1,2,3-triazole-5-carboxamide
CID 16663190
1-[4-[1-(2-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylbutan-1-one
CID 44588429
N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)triazole-4-carboxamide
CID 134218714
1-(2-Methylphenyl)-1H-1,2,3-triazole-4-carboxaldehyde
CID 53474190
1-{[1-(cyclohexylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-2-methyl-4-(4-methylphenyl)piperazine
CID 24818888
N-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 127396636
1-(4-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide
CID 162661301

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-phenyltriazole-4-carboxamide?
The IUPAC name of N,N-diethyl-1-phenyltriazole-4-carboxamide (CID 15048681) is N,N-diethyl-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-phenyltriazole-4-carboxamide is CCN(CC)C(=O)c1cn(-c2ccccc2)nn1.
What is the InChIKey of N,N-diethyl-1-phenyltriazole-4-carboxamide?
The InChIKey is AWLXZBUTVBSUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-16(4-2)13(18)12-10-17(15-14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-1-phenyltriazole-4-carboxamide?
N,N-diethyl-1-phenyltriazole-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 15048681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).