5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide

C19H20N4O4 — CID 17435427

IUPAC5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2nn(-c3ccccc3)nc2C)cc(OC)c1OC
InChIInChI=1S/C19H20N4O4/c1-12-17(22-23(21-12)14-8-6-5-7-9-14)19(24)20-13-10-15(25-2)18(27-4)16(11-13)26-3/h5-11H,1-4H3,(H,20,24)
InChIKeyUJKJFLHZYNERDX-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.85
Rot. Bonds6

About 5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide

5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide (PubChem CID 17435427) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
PubChem CID17435427
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2nn(-c3ccccc3)nc2C)cc(OC)c1OC
InChIInChI=1S/C19H20N4O4/c1-12-17(22-23(21-12)14-8-6-5-7-9-14)19(24)20-13-10-15(25-2)18(27-4)16(11-13)26-3/h5-11H,1-4H3,(H,20,24)
InChIKeyUJKJFLHZYNERDX-UHFFFAOYSA-N
XLogP2.85
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 17418781
N-(4,5-dichloro-2-methoxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 154839957
N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 26085730
N-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 33151610
N-(2-methoxydibenzofuran-3-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 9098208
N-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 8712853
2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 78882498
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 9403965
N-(3-chloro-4-propan-2-yloxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 46399207
N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide
CID 135968921
3-(3-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)phthalazine-1-carboxamide
CID 20970744
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 17396165

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide?
The IUPAC name of 5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide (CID 17435427) is 5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide is COc1cc(NC(=O)c2nn(-c3ccccc3)nc2C)cc(OC)c1OC.
What is the InChIKey of 5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide?
The InChIKey is UJKJFLHZYNERDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-12-17(22-23(21-12)14-8-6-5-7-9-14)19(24)20-13-10-15(25-2)18(27-4)16(11-13)26-3/h5-11H,1-4H3,(H,20,24).
What are the key properties of 5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide?
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 17435427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).