N-(4-ethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide

C17H16N4O2 — CID 15944271

IUPACN-(4-ethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ncn(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H16N4O2/c1-2-23-15-10-8-13(9-11-15)19-17(22)16-18-12-21(20-16)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,19,22)
InChIKeyIQJPWUVCEOVPBW-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.92
Rot. Bonds5

About N-(4-ethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide

N-(4-ethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 15944271) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID15944271
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(4-ethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ncn(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H16N4O2/c1-2-23-15-10-8-13(9-11-15)19-17(22)16-18-12-21(20-16)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,19,22)
InChIKeyIQJPWUVCEOVPBW-UHFFFAOYSA-N
XLogP2.92
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-ethoxyphenyl)-1-phenyl-1,2,4-triazole-3-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

(4S)-4-amino-N-(4-phenoxyphenyl)-4-(4H-1,2,4-triazol-3-yl)butanamide
CID 24901640
1-[4-(4-methoxyphenyl)piperazino]-2-(1H-1,2,4-triazol-1-yl)-1-ethanone
CID 1474447
1-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-1,2,4-triazole-3-carboxamide
CID 6473372
1-(2-chlorophenyl)-N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-4-methyl-1-oxopentan-2-yl]-1,2,4-triazole-3-carboxamide
CID 10368089
N-(3-chloro-4-methoxyphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15990128
3-(1H-1,2,4-triazol-1-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 1473640
N-(5-chloro-2-methoxyphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15990132
2-(3-nitro-1,2,4-triazol-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 52280989
1-(4-cyclopentyloxyphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 75400126
N-[4-(4-fluorophenoxy)phenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 122188136
N-(4-ethoxyphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709045
N-(4-methoxyphenyl)-N'-phenyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 978928

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide (CID 15944271) is N-(4-ethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide is CCOc1ccc(NC(=O)c2ncn(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is IQJPWUVCEOVPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-2-23-15-10-8-13(9-11-15)19-17(22)16-18-12-21(20-16)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,19,22).
What are the key properties of N-(4-ethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
N-(4-ethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 15944271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).