N-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide

C19H20N4O3 — CID 91885850

IUPACN-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(OC)cc2OC)nnn1-c1ccccc1
InChIInChI=1S/C19H20N4O3/c1-4-16-18(21-22-23(16)13-8-6-5-7-9-13)19(24)20-15-11-10-14(25-2)12-17(15)26-3/h5-12H,4H2,1-3H3,(H,20,24)
InChIKeyGKIXYCSFTMIRAV-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.10
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide

N-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide (PubChem CID 91885850) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide
PubChem CID91885850
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(OC)cc2OC)nnn1-c1ccccc1
InChIInChI=1S/C19H20N4O3/c1-4-16-18(21-22-23(16)13-8-6-5-7-9-13)19(24)20-15-11-10-14(25-2)12-17(15)26-3/h5-12H,4H2,1-3H3,(H,20,24)
InChIKeyGKIXYCSFTMIRAV-UHFFFAOYSA-N
XLogP3.10
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-1-phenyl-N-[2-(trifluoromethoxy)phenyl]triazole-4-carboxamide
CID 24825153
5-amino-N-(2,5-dimethoxyphenyl)-1-phenyltriazole-4-carboxamide
CID 17015741
N-(2,4-dimethoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyltriazole-4-carboxamide
CID 43845104
N-(2,4-dimethoxyphenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17399023
5-amino-N-(2,4-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 27262300
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 16654337
1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-(methoxymethyl)triazole-4-carboxamide
CID 16651925
5-chloro-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 73254440
5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide
CID 15944151
1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]propan-1-one
CID 107431322
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-phenyltriazole-4-carboxamide
CID 16654298
N-(2,4-dimethylphenyl)-5-(methoxymethyl)-1-phenyltriazole-4-carboxamide
CID 16651250

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide (CID 91885850) is N-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide is CCc1c(C(=O)Nc2ccc(OC)cc2OC)nnn1-c1ccccc1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide?
The InChIKey is GKIXYCSFTMIRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-4-16-18(21-22-23(16)13-8-6-5-7-9-13)19(24)20-15-11-10-14(25-2)12-17(15)26-3/h5-12H,4H2,1-3H3,(H,20,24).
What are the key properties of N-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide?
N-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 91885850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).