5-ethoxy-N,1-diphenyltriazole-4-carboxamide

C17H16N4O2 — CID 1499985

IUPAC5-ethoxy-N,1-diphenyltriazole-4-carboxamide
SMILESCCOc1c(C(=O)Nc2ccccc2)nnn1-c1ccccc1
InChIInChI=1S/C17H16N4O2/c1-2-23-17-15(16(22)18-13-9-5-3-6-10-13)19-20-21(17)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,18,22)
InChIKeyQDJGXMNDHRIHCI-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.92
Rot. Bonds5

About 5-ethoxy-N,1-diphenyltriazole-4-carboxamide

5-ethoxy-N,1-diphenyltriazole-4-carboxamide (PubChem CID 1499985) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-ethoxy-N,1-diphenyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N,1-diphenyltriazole-4-carboxamide
PubChem CID1499985
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name5-ethoxy-N,1-diphenyltriazole-4-carboxamide
SMILESCCOc1c(C(=O)Nc2ccccc2)nnn1-c1ccccc1
InChIInChI=1S/C17H16N4O2/c1-2-23-17-15(16(22)18-13-9-5-3-6-10-13)19-20-21(17)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,18,22)
InChIKeyQDJGXMNDHRIHCI-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

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Related Compounds

5-ethyl-N,1-diphenyltriazole-4-carboxamide
CID 15944220
5-(2-hydroxy-3-piperidin-1-ylpropoxy)-N,1-diphenyltriazole-4-carboxamide
CID 4605472
5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide
CID 15944151
5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide
CID 17014853
5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide
CID 15944215
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-phenyltriazole-4-carboxamide
CID 16654298
1-(4-bromophenyl)-N-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 2150357
methyl 3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]benzoate
CID 15944111
5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 27260956
1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 6493760
4-(5-methyl-1-phenyltriazole-4-carbonyl)-N,1-diphenylpyrazole-3-carboxamide
CID 139231542
N-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide
CID 16651444

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N,1-diphenyltriazole-4-carboxamide?
The IUPAC name of 5-ethoxy-N,1-diphenyltriazole-4-carboxamide (CID 1499985) is 5-ethoxy-N,1-diphenyltriazole-4-carboxamide.
What is the SMILES notation for 5-ethoxy-N,1-diphenyltriazole-4-carboxamide?
The canonical SMILES for 5-ethoxy-N,1-diphenyltriazole-4-carboxamide is CCOc1c(C(=O)Nc2ccccc2)nnn1-c1ccccc1.
What is the InChIKey of 5-ethoxy-N,1-diphenyltriazole-4-carboxamide?
The InChIKey is QDJGXMNDHRIHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-2-23-17-15(16(22)18-13-9-5-3-6-10-13)19-20-21(17)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,18,22).
What are the key properties of 5-ethoxy-N,1-diphenyltriazole-4-carboxamide?
5-ethoxy-N,1-diphenyltriazole-4-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 5-ethoxy-N,1-diphenyltriazole-4-carboxamide is sourced from PubChem (CID 1499985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).