5-amino-N-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide

C19H21N5O — CID 3239048

IUPAC5-amino-N-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
SMILESCc1ccccc1Cn1nnc(C(=O)Nc2cccc(C)c2C)c1N
InChIInChI=1S/C19H21N5O/c1-12-8-6-10-16(14(12)3)21-19(25)17-18(20)24(23-22-17)11-15-9-5-4-7-13(15)2/h4-10H,11,20H2,1-3H3,(H,21,25)
InChIKeyVHHMRUKSTXKKTE-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.09
Rot. Bonds4

About 5-amino-N-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide

5-amino-N-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide (PubChem CID 3239048) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-amino-N-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
PubChem CID3239048
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name5-amino-N-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
SMILESCc1ccccc1Cn1nnc(C(=O)Nc2cccc(C)c2C)c1N
InChIInChI=1S/C19H21N5O/c1-12-8-6-10-16(14(12)3)21-19(25)17-18(20)24(23-22-17)11-15-9-5-4-7-13(15)2/h4-10H,11,20H2,1-3H3,(H,21,25)
InChIKeyVHHMRUKSTXKKTE-UHFFFAOYSA-N
XLogP3.09
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Benzyl-5-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
CID 135447439
5-Amino-1-benzyl-1H-1,2,3-triazole-4-carboxamide
CID 225435
5-amino-N-(3,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]triazole-4-carboxamide
CID 5309788
5-amino-N-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
CID 3340803
3-(3,4-Dimethylphenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one
CID 7200044
5-Amino-N,1-dibenzyl-1H-1,2,3-triazole-4-carboxamide
CID 562160
3-benzyl-6-phenyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
CID 672604
5-Amino-N-(2-ethylphenyl)-1-{[(2-methylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide
CID 2134777
5-amino-N-(2,3-dimethylphenyl)-1-(4-methylbenzyl)-1H-1,2,3-triazole-4-carboxamide
CID 3239749
5-amino-N-(2,5-dimethylphenyl)-1-[(3-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 16008391
4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-1-(3-methylphenyl)-1H-1,2,3-triazol-5-amine
CID 3235731
3-(4-fluorobenzyl)-6-(2-methylbenzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
CID 3236219

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide (CID 3239048) is 5-amino-N-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide is Cc1ccccc1Cn1nnc(C(=O)Nc2cccc(C)c2C)c1N.
What is the InChIKey of 5-amino-N-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide?
The InChIKey is VHHMRUKSTXKKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12-8-6-10-16(14(12)3)21-19(25)17-18(20)24(23-22-17)11-15-9-5-4-7-13(15)2/h4-10H,11,20H2,1-3H3,(H,21,25).
What are the key properties of 5-amino-N-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide?
5-amino-N-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 3239048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).