1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide

C17H16N4O — CID 13292301

IUPAC1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1cccc(-c2nc(C(N)=O)nn2-c2cccc(C)c2)c1
InChIInChI=1S/C17H16N4O/c1-11-5-3-7-13(9-11)17-19-16(15(18)22)20-21(17)14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H2,18,22)
InChIKeyDCUDDRNAGVIJQO-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.65
Rot. Bonds3

About 1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide

1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 13292301) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID13292301
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1cccc(-c2nc(C(N)=O)nn2-c2cccc(C)c2)c1
InChIInChI=1S/C17H16N4O/c1-11-5-3-7-13(9-11)17-19-16(15(18)22)20-21(17)14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H2,18,22)
InChIKeyDCUDDRNAGVIJQO-UHFFFAOYSA-N
XLogP2.65
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-5-(4-nitrophenyl)-1,2,4-triazole-3-carboxamide
CID 13292324
1-[3-(aminomethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide
CID 151923976
1-(2,4-dimethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 13132138
1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
CID 50745472
1-(3-methylphenyl)-N-(2-methylpropyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42692739
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
5-phenyl-1-[3-(3,3,3-trifluoropropyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 13345765
N-(1,2-diphenylethyl)-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42692756
N-methyl-1-(3-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42692790
[4-(2-methoxyethyl)piperazin-1-yl]-[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
CID 42880923
5-amino-3-tert-butyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 155528637

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide (CID 13292301) is 1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide is Cc1cccc(-c2nc(C(N)=O)nn2-c2cccc(C)c2)c1.
What is the InChIKey of 1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is DCUDDRNAGVIJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-11-5-3-7-13(9-11)17-19-16(15(18)22)20-21(17)14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H2,18,22).
What are the key properties of 1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide?
1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 13292301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).