5-methyl-1-(2-methylphenyl)-N-naphthalen-2-yltriazole-4-carboxamide

C21H18N4O — CID 137375588

IUPAC5-methyl-1-(2-methylphenyl)-N-naphthalen-2-yltriazole-4-carboxamide
SMILESCc1ccccc1-n1nnc(C(=O)Nc2ccc3ccccc3c2)c1C
InChIInChI=1S/C21H18N4O/c1-14-7-3-6-10-19(14)25-15(2)20(23-24-25)21(26)22-18-12-11-16-8-4-5-9-17(16)13-18/h3-13H,1-2H3,(H,22,26)
InChIKeyBNKOHEBMKXAZER-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.29
Rot. Bonds3

About 5-methyl-1-(2-methylphenyl)-N-naphthalen-2-yltriazole-4-carboxamide

5-methyl-1-(2-methylphenyl)-N-naphthalen-2-yltriazole-4-carboxamide (PubChem CID 137375588) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-methyl-1-(2-methylphenyl)-N-naphthalen-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(2-methylphenyl)-N-naphthalen-2-yltriazole-4-carboxamide
PubChem CID137375588
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name5-methyl-1-(2-methylphenyl)-N-naphthalen-2-yltriazole-4-carboxamide
SMILESCc1ccccc1-n1nnc(C(=O)Nc2ccc3ccccc3c2)c1C
InChIInChI=1S/C21H18N4O/c1-14-7-3-6-10-19(14)25-15(2)20(23-24-25)21(26)22-18-12-11-16-8-4-5-9-17(16)13-18/h3-13H,1-2H3,(H,22,26)
InChIKeyBNKOHEBMKXAZER-UHFFFAOYSA-N
XLogP4.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylphenyl)-N-naphthalen-2-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(2-methylphenyl)-N-naphthalen-2-yltriazole-4-carboxamide (CID 137375588) is 5-methyl-1-(2-methylphenyl)-N-naphthalen-2-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(2-methylphenyl)-N-naphthalen-2-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(2-methylphenyl)-N-naphthalen-2-yltriazole-4-carboxamide is Cc1ccccc1-n1nnc(C(=O)Nc2ccc3ccccc3c2)c1C.
What is the InChIKey of 5-methyl-1-(2-methylphenyl)-N-naphthalen-2-yltriazole-4-carboxamide?
The InChIKey is BNKOHEBMKXAZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-7-3-6-10-19(14)25-15(2)20(23-24-25)21(26)22-18-12-11-16-8-4-5-9-17(16)13-18/h3-13H,1-2H3,(H,22,26).
What are the key properties of 5-methyl-1-(2-methylphenyl)-N-naphthalen-2-yltriazole-4-carboxamide?
5-methyl-1-(2-methylphenyl)-N-naphthalen-2-yltriazole-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylphenyl)-N-naphthalen-2-yltriazole-4-carboxamide is sourced from PubChem (CID 137375588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).