5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide

C19H20N4O2 — CID 17014853

IUPAC5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide
SMILESCCCOc1ccc(-n2nnc(C(=O)Nc3ccccc3)c2C)cc1
InChIInChI=1S/C19H20N4O2/c1-3-13-25-17-11-9-16(10-12-17)23-14(2)18(21-22-23)19(24)20-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,20,24)
InChIKeyUJKHZEJNSWYVMU-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.62
Rot. Bonds6

About 5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide

5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide (PubChem CID 17014853) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide
PubChem CID17014853
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide
SMILESCCCOc1ccc(-n2nnc(C(=O)Nc3ccccc3)c2C)cc1
InChIInChI=1S/C19H20N4O2/c1-3-13-25-17-11-9-16(10-12-17)23-14(2)18(21-22-23)19(24)20-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,20,24)
InChIKeyUJKHZEJNSWYVMU-UHFFFAOYSA-N
XLogP3.62
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-methyl-1-(4-propoxyphenyl)triazole-4-carboxamide
CID 17015548
1-(4-bromophenyl)-N-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 2150357
N-[4-[3-(dimethylamino)propoxy]phenyl]-5-methyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
CID 86902884
1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 112821981
5-ethoxy-N,1-diphenyltriazole-4-carboxamide
CID 1499985
5-ethyl-N,1-diphenyltriazole-4-carboxamide
CID 15944220
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-phenyltriazole-4-carboxamide
CID 16654298
1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
CID 16649287
1-(4-hexoxyphenyl)-5-methyltriazole-4-carboxamide
CID 82199810
N-(4-ethoxyphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 7184521
methyl 3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]benzoate
CID 15944111
N-[4-(4-fluorophenoxy)butyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 55598581

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide?
The IUPAC name of 5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide (CID 17014853) is 5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide is CCCOc1ccc(-n2nnc(C(=O)Nc3ccccc3)c2C)cc1.
What is the InChIKey of 5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide?
The InChIKey is UJKHZEJNSWYVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-13-25-17-11-9-16(10-12-17)23-14(2)18(21-22-23)19(24)20-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,20,24).
What are the key properties of 5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide?
5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 17014853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).