N-(2,5-dimethylphenyl)-1-(3-ethylphenyl)-5-methyltriazole-4-carboxamide

C20H22N4O — CID 22516245

IUPACN-(2,5-dimethylphenyl)-1-(3-ethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCCc1cccc(-n2nnc(C(=O)Nc3cc(C)ccc3C)c2C)c1
InChIInChI=1S/C20H22N4O/c1-5-16-7-6-8-17(12-16)24-15(4)19(22-23-24)20(25)21-18-11-13(2)9-10-14(18)3/h6-12H,5H2,1-4H3,(H,21,25)
InChIKeySEAFCLZJUMNFBD-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.01
Rot. Bonds4

About N-(2,5-dimethylphenyl)-1-(3-ethylphenyl)-5-methyltriazole-4-carboxamide

N-(2,5-dimethylphenyl)-1-(3-ethylphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 22516245) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-(3-ethylphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-(3-ethylphenyl)-5-methyltriazole-4-carboxamide
PubChem CID22516245
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-(2,5-dimethylphenyl)-1-(3-ethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCCc1cccc(-n2nnc(C(=O)Nc3cc(C)ccc3C)c2C)c1
InChIInChI=1S/C20H22N4O/c1-5-16-7-6-8-17(12-16)24-15(4)19(22-23-24)20(25)21-18-11-13(2)9-10-14(18)3/h6-12H,5H2,1-4H3,(H,21,25)
InChIKeySEAFCLZJUMNFBD-UHFFFAOYSA-N
XLogP4.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide
CID 2150249
1-(2-chloro-5-methylphenyl)-N-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 9152359
N-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150262
1-(3-bromophenyl)-N-(2-chloro-4-methylphenyl)-5-methyltriazole-4-carboxamide
CID 60527351
N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 16648407
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55894881
N-(5-bromo-2-methylphenyl)-5-methyl-1-(3-nitrophenyl)triazole-4-carboxamide
CID 55804504
N-(5-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 2141051
N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 56573213
1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 2137572
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2150290
1-(3,4-dimethylphenyl)-N-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858321

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-(3-ethylphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1-(3-ethylphenyl)-5-methyltriazole-4-carboxamide (CID 22516245) is N-(2,5-dimethylphenyl)-1-(3-ethylphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-(3-ethylphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-(3-ethylphenyl)-5-methyltriazole-4-carboxamide is CCc1cccc(-n2nnc(C(=O)Nc3cc(C)ccc3C)c2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-(3-ethylphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is SEAFCLZJUMNFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-5-16-7-6-8-17(12-16)24-15(4)19(22-23-24)20(25)21-18-11-13(2)9-10-14(18)3/h6-12H,5H2,1-4H3,(H,21,25).
What are the key properties of N-(2,5-dimethylphenyl)-1-(3-ethylphenyl)-5-methyltriazole-4-carboxamide?
N-(2,5-dimethylphenyl)-1-(3-ethylphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-(3-ethylphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 22516245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).