5-(3-methoxyphenyl)-1-phenyl-N-propyl-1,2,4-triazole-3-carboxamide

C19H20N4O2 — CID 17052437

IUPAC5-(3-methoxyphenyl)-1-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
SMILESCCCNC(=O)c1nc(-c2cccc(OC)c2)n(-c2ccccc2)n1
InChIInChI=1S/C19H20N4O2/c1-3-12-20-19(24)17-21-18(14-8-7-11-16(13-14)25-2)23(22-17)15-9-5-4-6-10-15/h4-11,13H,3,12H2,1-2H3,(H,20,24)
InChIKeyNCVMRGSSIIINJN-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.08
Rot. Bonds6

About 5-(3-methoxyphenyl)-1-phenyl-N-propyl-1,2,4-triazole-3-carboxamide

5-(3-methoxyphenyl)-1-phenyl-N-propyl-1,2,4-triazole-3-carboxamide (PubChem CID 17052437) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-1-phenyl-N-propyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-1-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
PubChem CID17052437
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-(3-methoxyphenyl)-1-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
SMILESCCCNC(=O)c1nc(-c2cccc(OC)c2)n(-c2ccccc2)n1
InChIInChI=1S/C19H20N4O2/c1-3-12-20-19(24)17-21-18(14-8-7-11-16(13-14)25-2)23(22-17)15-9-5-4-6-10-15/h4-11,13H,3,12H2,1-2H3,(H,20,24)
InChIKeyNCVMRGSSIIINJN-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)propyl]-5-(3-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 17052442
1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
CID 50745472
5-(3-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 17052447
N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4849380
1-(3-methoxyphenyl)-5-methyl-N-propylpyrazole-3-carboxamide
CID 110373151
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 34778567
ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]butanoate
CID 37258916
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 17052400
N-[3-(4-ethylpiperazin-1-yl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 60553494
2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17032912
[2-oxo-2-(propylcarbamoylamino)ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 2606622
1-(3-methylphenyl)-N-(2-methylpropyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42692739

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-1-phenyl-N-propyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-1-phenyl-N-propyl-1,2,4-triazole-3-carboxamide (CID 17052437) is 5-(3-methoxyphenyl)-1-phenyl-N-propyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-1-phenyl-N-propyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-1-phenyl-N-propyl-1,2,4-triazole-3-carboxamide is CCCNC(=O)c1nc(-c2cccc(OC)c2)n(-c2ccccc2)n1.
What is the InChIKey of 5-(3-methoxyphenyl)-1-phenyl-N-propyl-1,2,4-triazole-3-carboxamide?
The InChIKey is NCVMRGSSIIINJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-12-20-19(24)17-21-18(14-8-7-11-16(13-14)25-2)23(22-17)15-9-5-4-6-10-15/h4-11,13H,3,12H2,1-2H3,(H,20,24).
What are the key properties of 5-(3-methoxyphenyl)-1-phenyl-N-propyl-1,2,4-triazole-3-carboxamide?
5-(3-methoxyphenyl)-1-phenyl-N-propyl-1,2,4-triazole-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-1-phenyl-N-propyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 17052437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).