2-hydroxy-N'-[2-[[5-(2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide

C24H21N5O4S — CID 3169005

IUPAC2-hydroxy-N'-[2-[[5-(2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide
SMILESCc1ccc(-n2c(SCC(=O)NNC(=O)c3ccccc3O)nnc2-c2ccccc2O)cc1
InChIInChI=1S/C24H21N5O4S/c1-15-10-12-16(13-11-15)29-22(17-6-2-4-8-19(17)30)26-28-24(29)34-14-21(32)25-27-23(33)18-7-3-5-9-20(18)31/h2-13,30-31H,14H2,1H3,(H,25,32)(H,27,33)
InChIKeyRBZCVQRSGDPGHD-UHFFFAOYSA-N
MW475.53 g/mol
LogP3.21
Rot. Bonds6

About 2-hydroxy-N'-[2-[[5-(2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide

2-hydroxy-N'-[2-[[5-(2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide (PubChem CID 3169005) has the molecular formula C24H21N5O4S and a molecular weight of 475.53 g/mol. Its IUPAC name is 2-hydroxy-N'-[2-[[5-(2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide.

Molecular Properties

Compound Name2-hydroxy-N'-[2-[[5-(2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide
PubChem CID3169005
Molecular FormulaC24H21N5O4S
Molecular Weight475.53 g/mol
Exact Mass475.13
IUPAC Name2-hydroxy-N'-[2-[[5-(2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide
SMILESCc1ccc(-n2c(SCC(=O)NNC(=O)c3ccccc3O)nnc2-c2ccccc2O)cc1
InChIInChI=1S/C24H21N5O4S/c1-15-10-12-16(13-11-15)29-22(17-6-2-4-8-19(17)30)26-28-24(29)34-14-21(32)25-27-23(33)18-7-3-5-9-20(18)31/h2-13,30-31H,14H2,1H3,(H,25,32)(H,27,33)
InChIKeyRBZCVQRSGDPGHD-UHFFFAOYSA-N
XLogP3.21
TPSA129.37 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N'-[2-[[5-(2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide?
The IUPAC name of 2-hydroxy-N'-[2-[[5-(2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide (CID 3169005) is 2-hydroxy-N'-[2-[[5-(2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide.
What is the SMILES notation for 2-hydroxy-N'-[2-[[5-(2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide?
The canonical SMILES for 2-hydroxy-N'-[2-[[5-(2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide is Cc1ccc(-n2c(SCC(=O)NNC(=O)c3ccccc3O)nnc2-c2ccccc2O)cc1.
What is the InChIKey of 2-hydroxy-N'-[2-[[5-(2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide?
The InChIKey is RBZCVQRSGDPGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4S/c1-15-10-12-16(13-11-15)29-22(17-6-2-4-8-19(17)30)26-28-24(29)34-14-21(32)25-27-23(33)18-7-3-5-9-20(18)31/h2-13,30-31H,14H2,1H3,(H,25,32)(H,27,33).
What are the key properties of 2-hydroxy-N'-[2-[[5-(2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide?
2-hydroxy-N'-[2-[[5-(2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide has a molecular weight of 475.53 g/mol, XLogP of 3.21, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N'-[2-[[5-(2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide is sourced from PubChem (CID 3169005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).