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

C20H22N6O4S — CID 3170513

IUPAC3-hydroxy-N'-[2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide
SMILESCOCCCn1c(SCC(=O)NNC(=O)c2cccc(O)c2)nnc1-c1ccncc1
InChIInChI=1S/C20H22N6O4S/c1-30-11-3-10-26-18(14-6-8-21-9-7-14)23-25-20(26)31-13-17(28)22-24-19(29)15-4-2-5-16(27)12-15/h2,4-9,12,27H,3,10-11,13H2,1H3,(H,22,28)(H,24,29)
InChIKeyRLUGGYIDYDDQGW-UHFFFAOYSA-N
MW442.50 g/mol
LogP1.64
Rot. Bonds9

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

3-hydroxy-N'-[2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide (PubChem CID 3170513) has the molecular formula C20H22N6O4S and a molecular weight of 442.50 g/mol. Its IUPAC name is 3-hydroxy-N'-[2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide.

Molecular Properties

Compound Name3-hydroxy-N'-[2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide
PubChem CID3170513
Molecular FormulaC20H22N6O4S
Molecular Weight442.50 g/mol
Exact Mass442.14
IUPAC Name3-hydroxy-N'-[2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide
SMILESCOCCCn1c(SCC(=O)NNC(=O)c2cccc(O)c2)nnc1-c1ccncc1
InChIInChI=1S/C20H22N6O4S/c1-30-11-3-10-26-18(14-6-8-21-9-7-14)23-25-20(26)31-13-17(28)22-24-19(29)15-4-2-5-16(27)12-15/h2,4-9,12,27H,3,10-11,13H2,1H3,(H,22,28)(H,24,29)
InChIKeyRLUGGYIDYDDQGW-UHFFFAOYSA-N
XLogP1.64
TPSA131.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-hydroxy-N'-[2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-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

Related Compounds

Methyl acrylate-divinylbenzene, completely hydrolyzed, copolymer
CID 1151711
N'-({[4-(4-methoxyphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetyl)-2-methylbenzohydrazide
CID 1302884
1-(3,4-Dihydroxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 1400947
3,4-dimethoxy-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide
CID 9464584
2-(4-ethyl-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))-N-[(4-methoxyphenyl)carbonyl amino]acetamide
CID 1151723
1-(3,4-dihydroxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 715398
4-Methyl-benzoic acid N'-{2-[4-(4-methoxy-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetyl}-hydrazide
CID 1374572
1-(3,4-dihydroxyphenyl)-2-(5-(pyridin-3-yl)-4-vinyl-4H-1,2,4-triazol-3-ylthio)ethanone
CID 45267539
N'-[2-[[4-(4-fluorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-hydroxy-benzohydrazide
CID 1169624
3-Hydroxy-benzoic acid N'-{2-[4-(4-fluoro-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetyl}-hydrazide
CID 1169629
2-((4-Allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-1-(3,4-DI-HO-PH)ethanone
CID 3865246
N'-[2-[[4-(4-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-fluorobenzohydrazide
CID 17532276

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N'-[2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide?
The IUPAC name of 3-hydroxy-N'-[2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide (CID 3170513) is 3-hydroxy-N'-[2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide.
What is the SMILES notation for 3-hydroxy-N'-[2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide?
The canonical SMILES for 3-hydroxy-N'-[2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide is COCCCn1c(SCC(=O)NNC(=O)c2cccc(O)c2)nnc1-c1ccncc1.
What is the InChIKey of 3-hydroxy-N'-[2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide?
The InChIKey is RLUGGYIDYDDQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4S/c1-30-11-3-10-26-18(14-6-8-21-9-7-14)23-25-20(26)31-13-17(28)22-24-19(29)15-4-2-5-16(27)12-15/h2,4-9,12,27H,3,10-11,13H2,1H3,(H,22,28)(H,24,29).
What are the key properties of 3-hydroxy-N'-[2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide?
3-hydroxy-N'-[2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide has a molecular weight of 442.50 g/mol, XLogP of 1.64, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N'-[2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide is sourced from PubChem (CID 3170513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).