N-ethyl-5-methyl-N-phenyl-2H-triazole-4-carboxamide

C12H14N4O — CID 110691733

IUPACN-ethyl-5-methyl-N-phenyl-2H-triazole-4-carboxamide
SMILESCCN(C(=O)c1n[nH]nc1C)c1ccccc1
InChIInChI=1S/C12H14N4O/c1-3-16(10-7-5-4-6-8-10)12(17)11-9(2)13-15-14-11/h4-8H,3H2,1-2H3,(H,13,14,15)
InChIKeyFGZWGCBTSRJXNC-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.78
Rot. Bonds3

About N-ethyl-5-methyl-N-phenyl-2H-triazole-4-carboxamide

N-ethyl-5-methyl-N-phenyl-2H-triazole-4-carboxamide (PubChem CID 110691733) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-ethyl-5-methyl-N-phenyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-N-phenyl-2H-triazole-4-carboxamide
PubChem CID110691733
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-ethyl-5-methyl-N-phenyl-2H-triazole-4-carboxamide
SMILESCCN(C(=O)c1n[nH]nc1C)c1ccccc1
InChIInChI=1S/C12H14N4O/c1-3-16(10-7-5-4-6-8-10)12(17)11-9(2)13-15-14-11/h4-8H,3H2,1-2H3,(H,13,14,15)
InChIKeyFGZWGCBTSRJXNC-UHFFFAOYSA-N
XLogP1.78
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-5-methyl-N-phenyl-2H-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

N-ethyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 43582677
3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide
CID 29097744
N-ethyl-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857873
N-ethyl-4,5-dimethyl-N-phenyl-1,3-thiazole-2-carboxamide
CID 110696368
N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664
4-amino-5-cyclopropyl-N-ethyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 62077121
N-ethyl-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857874
N-ethyl-2,2-dimethyl-N-phenylpropanamide
CID 4127582
N-ethyl-2-methyl-6-oxo-N-phenyl-1H-pyrimidine-5-carboxamide
CID 110857948
N-ethyl-N-phenyl-2-(2H-tetrazol-5-yl)acetamide
CID 110498051
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-N-phenyl-2H-triazole-4-carboxamide?
The IUPAC name of N-ethyl-5-methyl-N-phenyl-2H-triazole-4-carboxamide (CID 110691733) is N-ethyl-5-methyl-N-phenyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-ethyl-5-methyl-N-phenyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-ethyl-5-methyl-N-phenyl-2H-triazole-4-carboxamide is CCN(C(=O)c1n[nH]nc1C)c1ccccc1.
What is the InChIKey of N-ethyl-5-methyl-N-phenyl-2H-triazole-4-carboxamide?
The InChIKey is FGZWGCBTSRJXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-3-16(10-7-5-4-6-8-10)12(17)11-9(2)13-15-14-11/h4-8H,3H2,1-2H3,(H,13,14,15).
What are the key properties of N-ethyl-5-methyl-N-phenyl-2H-triazole-4-carboxamide?
N-ethyl-5-methyl-N-phenyl-2H-triazole-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-N-phenyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 110691733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).