1-benzyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]triazole-4-carboxamide

C20H19N7O — CID 32577417

IUPAC1-benzyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]triazole-4-carboxamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2cn(Cc3ccccc3)nn2)c1
InChIInChI=1S/C20H19N7O/c1-2-26-14-21-24-19(26)16-9-6-10-17(11-16)22-20(28)18-13-27(25-23-18)12-15-7-4-3-5-8-15/h3-11,13-14H,2,12H2,1H3,(H,22,28)
InChIKeyCYABBPYBPWDODL-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.86
Rot. Bonds6

About 1-benzyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]triazole-4-carboxamide

1-benzyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]triazole-4-carboxamide (PubChem CID 32577417) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-benzyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]triazole-4-carboxamide
PubChem CID32577417
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name1-benzyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]triazole-4-carboxamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2cn(Cc3ccccc3)nn2)c1
InChIInChI=1S/C20H19N7O/c1-2-26-14-21-24-19(26)16-9-6-10-17(11-16)22-20(28)18-13-27(25-23-18)12-15-7-4-3-5-8-15/h3-11,13-14H,2,12H2,1H3,(H,22,28)
InChIKeyCYABBPYBPWDODL-UHFFFAOYSA-N
XLogP2.86
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-N-[3-(tetrazol-1-yl)phenyl]triazole-4-carboxamide
CID 24627598
4-ethyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]thiadiazole-5-carboxamide
CID 32576289
4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 32582091
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3,5-difluorobenzamide
CID 32572893
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 32575973
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,4-difluorobenzamide
CID 32581867
4-(dimethylamino)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 86801220
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 32582171
2-[4-[[3-(1-benzyltriazol-4-yl)phenyl]carbamoyl]triazol-1-yl]ethyl acetate
CID 71720378
5-bromo-2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 32581878
3-[3-(4-ethyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-oxopropanoic acid
CID 122065291
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 32577899

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]triazole-4-carboxamide (CID 32577417) is 1-benzyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]triazole-4-carboxamide is CCn1cnnc1-c1cccc(NC(=O)c2cn(Cc3ccccc3)nn2)c1.
What is the InChIKey of 1-benzyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]triazole-4-carboxamide?
The InChIKey is CYABBPYBPWDODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-2-26-14-21-24-19(26)16-9-6-10-17(11-16)22-20(28)18-13-27(25-23-18)12-15-7-4-3-5-8-15/h3-11,13-14H,2,12H2,1H3,(H,22,28).
What are the key properties of 1-benzyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]triazole-4-carboxamide?
1-benzyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]triazole-4-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 32577417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).