2-methyl-N'-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide

C19H19N5O2S — CID 3457056

IUPAC2-methyl-N'-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)CSc1nnc(C)n1-c1ccccc1
InChIInChI=1S/C19H19N5O2S/c1-13-8-6-7-11-16(13)18(26)22-21-17(25)12-27-19-23-20-14(2)24(19)15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyODRLVGBEHYSGAM-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.44
Rot. Bonds5

About 2-methyl-N'-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide

2-methyl-N'-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide (PubChem CID 3457056) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-methyl-N'-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
PubChem CID3457056
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name2-methyl-N'-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)CSc1nnc(C)n1-c1ccccc1
InChIInChI=1S/C19H19N5O2S/c1-13-8-6-7-11-16(13)18(26)22-21-17(25)12-27-19-23-20-14(2)24(19)15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyODRLVGBEHYSGAM-UHFFFAOYSA-N
XLogP2.44
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methyl-N'-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide?
The IUPAC name of 2-methyl-N'-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide (CID 3457056) is 2-methyl-N'-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide.
What is the SMILES notation for 2-methyl-N'-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide?
The canonical SMILES for 2-methyl-N'-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide is Cc1ccccc1C(=O)NNC(=O)CSc1nnc(C)n1-c1ccccc1.
What is the InChIKey of 2-methyl-N'-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide?
The InChIKey is ODRLVGBEHYSGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-13-8-6-7-11-16(13)18(26)22-21-17(25)12-27-19-23-20-14(2)24(19)15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 2-methyl-N'-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide?
2-methyl-N'-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide has a molecular weight of 381.46 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide is sourced from PubChem (CID 3457056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).