2-(2,4-dimethylphenyl)-N'-(2-hydroxybenzoyl)-5-methyltriazole-4-carbohydrazide

C19H19N5O3 — CID 27698207

IUPAC2-(2,4-dimethylphenyl)-N'-(2-hydroxybenzoyl)-5-methyltriazole-4-carbohydrazide
SMILESCc1ccc(-n2nc(C)c(C(=O)NNC(=O)c3ccccc3O)n2)c(C)c1
InChIInChI=1S/C19H19N5O3/c1-11-8-9-15(12(2)10-11)24-22-13(3)17(23-24)19(27)21-20-18(26)14-6-4-5-7-16(14)25/h4-10,25H,1-3H3,(H,20,26)(H,21,27)
InChIKeyUEJKZPYOEWLGET-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.97
Rot. Bonds3

About 2-(2,4-dimethylphenyl)-N'-(2-hydroxybenzoyl)-5-methyltriazole-4-carbohydrazide

2-(2,4-dimethylphenyl)-N'-(2-hydroxybenzoyl)-5-methyltriazole-4-carbohydrazide (PubChem CID 27698207) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N'-(2-hydroxybenzoyl)-5-methyltriazole-4-carbohydrazide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N'-(2-hydroxybenzoyl)-5-methyltriazole-4-carbohydrazide
PubChem CID27698207
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name2-(2,4-dimethylphenyl)-N'-(2-hydroxybenzoyl)-5-methyltriazole-4-carbohydrazide
SMILESCc1ccc(-n2nc(C)c(C(=O)NNC(=O)c3ccccc3O)n2)c(C)c1
InChIInChI=1S/C19H19N5O3/c1-11-8-9-15(12(2)10-11)24-22-13(3)17(23-24)19(27)21-20-18(26)14-6-4-5-7-16(14)25/h4-10,25H,1-3H3,(H,20,26)(H,21,27)
InChIKeyUEJKZPYOEWLGET-UHFFFAOYSA-N
XLogP1.97
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[2-(2,4-dimethylphenyl)-5-methyltriazole-4-carbonyl]amino]-2-methylbenzoate
CID 43055005
2-(2,4-dimethylphenyl)-5-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]triazole-4-carboxamide
CID 55647317
N-(4-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 8569599
2-(2,4-dimethylphenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide
CID 46806969
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 8571347
methyl 3-[[2-(2,4-dimethylphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 30847810
2-(2,4-dimethylphenyl)-5-methyl-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide
CID 30183644
N-[[4-(dimethylamino)phenyl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 26819803
2-(2,4-dimethylphenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-5-methyltriazole-4-carboxamide
CID 46476234
2-(2,4-dimethylphenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]triazole-4-carboxamide
CID 43024663
(2-anilino-2-oxoethyl) 2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxylate
CID 8981429
2-(2,4-dimethylphenyl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-5-methyltriazole-4-carboxamide
CID 56568386

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N'-(2-hydroxybenzoyl)-5-methyltriazole-4-carbohydrazide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N'-(2-hydroxybenzoyl)-5-methyltriazole-4-carbohydrazide (CID 27698207) is 2-(2,4-dimethylphenyl)-N'-(2-hydroxybenzoyl)-5-methyltriazole-4-carbohydrazide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N'-(2-hydroxybenzoyl)-5-methyltriazole-4-carbohydrazide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N'-(2-hydroxybenzoyl)-5-methyltriazole-4-carbohydrazide is Cc1ccc(-n2nc(C)c(C(=O)NNC(=O)c3ccccc3O)n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N'-(2-hydroxybenzoyl)-5-methyltriazole-4-carbohydrazide?
The InChIKey is UEJKZPYOEWLGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-11-8-9-15(12(2)10-11)24-22-13(3)17(23-24)19(27)21-20-18(26)14-6-4-5-7-16(14)25/h4-10,25H,1-3H3,(H,20,26)(H,21,27).
What are the key properties of 2-(2,4-dimethylphenyl)-N'-(2-hydroxybenzoyl)-5-methyltriazole-4-carbohydrazide?
2-(2,4-dimethylphenyl)-N'-(2-hydroxybenzoyl)-5-methyltriazole-4-carbohydrazide has a molecular weight of 365.39 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N'-(2-hydroxybenzoyl)-5-methyltriazole-4-carbohydrazide is sourced from PubChem (CID 27698207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).