5-methyl-1-(3-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]triazole-4-carbohydrazide

C25H23N5O3 — CID 60520886

IUPAC5-methyl-1-(3-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]triazole-4-carbohydrazide
SMILESCc1cccc(-n2nnc(C(=O)NNC(=O)COc3ccccc3-c3ccccc3)c2C)c1
InChIInChI=1S/C25H23N5O3/c1-17-9-8-12-20(15-17)30-18(2)24(27-29-30)25(32)28-26-23(31)16-33-22-14-7-6-13-21(22)19-10-4-3-5-11-19/h3-15H,16H2,1-2H3,(H,26,31)(H,28,32)
InChIKeySELCYAJPIKQJOF-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.39
Rot. Bonds6

About 5-methyl-1-(3-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]triazole-4-carbohydrazide

5-methyl-1-(3-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]triazole-4-carbohydrazide (PubChem CID 60520886) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 5-methyl-1-(3-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name5-methyl-1-(3-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]triazole-4-carbohydrazide
PubChem CID60520886
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC Name5-methyl-1-(3-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]triazole-4-carbohydrazide
SMILESCc1cccc(-n2nnc(C(=O)NNC(=O)COc3ccccc3-c3ccccc3)c2C)c1
InChIInChI=1S/C25H23N5O3/c1-17-9-8-12-20(15-17)30-18(2)24(27-29-30)25(32)28-26-23(31)16-33-22-14-7-6-13-21(22)19-10-4-3-5-11-19/h3-15H,16H2,1-2H3,(H,26,31)(H,28,32)
InChIKeySELCYAJPIKQJOF-UHFFFAOYSA-N
XLogP3.39
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55887228
N'-[2-(4-chlorophenyl)sulfanylacetyl]-5-methyl-1-(3-methylphenyl)triazole-4-carbohydrazide
CID 60520668
1,5-dimethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-3-carbohydrazide
CID 60527876
4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 26901799
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
5-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1H-pyrazole-3-carbohydrazide
CID 60520861
N'-[2-(2-phenylphenoxy)acetyl]-1H-indazole-3-carbohydrazide
CID 9076190
5-(2-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxylic acid
CID 94940466
(E)-2-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]hex-4-enoic acid
CID 120693785
N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-(2-phenylphenoxy)acetohydrazide
CID 55350702
3-(4-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]-1,2-oxazole-5-carbohydrazide
CID 55644587

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]triazole-4-carbohydrazide?
The IUPAC name of 5-methyl-1-(3-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]triazole-4-carbohydrazide (CID 60520886) is 5-methyl-1-(3-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]triazole-4-carbohydrazide.
What is the SMILES notation for 5-methyl-1-(3-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]triazole-4-carbohydrazide?
The canonical SMILES for 5-methyl-1-(3-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]triazole-4-carbohydrazide is Cc1cccc(-n2nnc(C(=O)NNC(=O)COc3ccccc3-c3ccccc3)c2C)c1.
What is the InChIKey of 5-methyl-1-(3-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]triazole-4-carbohydrazide?
The InChIKey is SELCYAJPIKQJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-17-9-8-12-20(15-17)30-18(2)24(27-29-30)25(32)28-26-23(31)16-33-22-14-7-6-13-21(22)19-10-4-3-5-11-19/h3-15H,16H2,1-2H3,(H,26,31)(H,28,32).
What are the key properties of 5-methyl-1-(3-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]triazole-4-carbohydrazide?
5-methyl-1-(3-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]triazole-4-carbohydrazide has a molecular weight of 441.49 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]triazole-4-carbohydrazide is sourced from PubChem (CID 60520886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).