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

C19H20N4O — CID 50745472

IUPAC1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
SMILESCCCNC(=O)c1nc(-c2ccccc2)n(-c2cccc(C)c2)n1
InChIInChI=1S/C19H20N4O/c1-3-12-20-19(24)17-21-18(15-9-5-4-6-10-15)23(22-17)16-11-7-8-14(2)13-16/h4-11,13H,3,12H2,1-2H3,(H,20,24)
InChIKeyRRHDFXWZCBHCDW-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.38
Rot. Bonds5

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

1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide (PubChem CID 50745472) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
PubChem CID50745472
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
SMILESCCCNC(=O)c1nc(-c2ccccc2)n(-c2cccc(C)c2)n1
InChIInChI=1S/C19H20N4O/c1-3-12-20-19(24)17-21-18(15-9-5-4-6-10-15)23(22-17)16-11-7-8-14(2)13-16/h4-11,13H,3,12H2,1-2H3,(H,20,24)
InChIKeyRRHDFXWZCBHCDW-UHFFFAOYSA-N
XLogP3.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-N-(2-methylpropyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42692739
5-(3-methoxyphenyl)-1-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
CID 17052437
1-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 42692774
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42880927
N-(1,2-diphenylethyl)-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42692756
N-[3-[ethyl(methylsulfonyl)amino]propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 52718659
ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]butanoate
CID 37258916
1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 13292301
N-[3-(4-ethylpiperazin-1-yl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 60553494
[4-(2-methoxyethyl)piperazin-1-yl]-[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
CID 42880923
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
N-[3-(dimethylamino)propyl]-5-(3-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 17052442

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide (CID 50745472) is 1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide is CCCNC(=O)c1nc(-c2ccccc2)n(-c2cccc(C)c2)n1.
What is the InChIKey of 1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide?
The InChIKey is RRHDFXWZCBHCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-3-12-20-19(24)17-21-18(15-9-5-4-6-10-15)23(22-17)16-11-7-8-14(2)13-16/h4-11,13H,3,12H2,1-2H3,(H,20,24).
What are the key properties of 1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide?
1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 50745472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).