2-(4-chlorophenoxy)-N'-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]acetohydrazide

C15H18ClN5O3S — CID 7675534

IUPAC2-(4-chlorophenoxy)-N'-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]acetohydrazide
SMILESCC(C)n1cnnc1SCC(=O)NNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN5O3S/c1-10(2)21-9-17-20-15(21)25-8-14(23)19-18-13(22)7-24-12-5-3-11(16)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyLCZICSYOQCEBCS-UHFFFAOYSA-N
MW383.86 g/mol
LogP1.83
Rot. Bonds7

About 2-(4-chlorophenoxy)-N'-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]acetohydrazide

2-(4-chlorophenoxy)-N'-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]acetohydrazide (PubChem CID 7675534) has the molecular formula C15H18ClN5O3S and a molecular weight of 383.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N'-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N'-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]acetohydrazide
PubChem CID7675534
Molecular FormulaC15H18ClN5O3S
Molecular Weight383.86 g/mol
Exact Mass383.08
IUPAC Name2-(4-chlorophenoxy)-N'-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]acetohydrazide
SMILESCC(C)n1cnnc1SCC(=O)NNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN5O3S/c1-10(2)21-9-17-20-15(21)25-8-14(23)19-18-13(22)7-24-12-5-3-11(16)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyLCZICSYOQCEBCS-UHFFFAOYSA-N
XLogP1.83
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenoxy)-N'-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]acetohydrazide with MolForge

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Related Compounds

2-(4-chlorophenoxy)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]acetohydrazide
CID 2562649
(4-Chloro-phenoxy)-acetic acid N'-{2-[4-(3-methoxy-propyl)-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetyl}-hydrazide
CID 3178044
2-(4-chlorophenoxy)-N-(5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)acetamide
CID 16031379
2-[[5-[(4-Chlorophenoxy)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 653495
(4-Chloro-phenoxy)-acetic acid N'-[2-(4,5-dimethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazide
CID 2565392
2-(4-chlorophenoxy)-N'-[2-[[5-methyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]acetohydrazide
CID 3178043
2-(4-chlorophenoxy)-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]acetohydrazide
CID 4847348
3-[2-(4-Chlorophenoxy)ethylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 47095189
2-(4-Chlorophenoxy)-N-(4H-1,2,4-triazol-4-yl)acetamide
CID 588068
2-(3-chlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide
CID 4454060
4-Butyl-3-[2-(4-chlorophenoxy)ethylsulfanyl]-1,2,4-triazole
CID 54395402
2-[[5-[(4-Chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 864075

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N'-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]acetohydrazide?
The IUPAC name of 2-(4-chlorophenoxy)-N'-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]acetohydrazide (CID 7675534) is 2-(4-chlorophenoxy)-N'-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]acetohydrazide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N'-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]acetohydrazide?
The canonical SMILES for 2-(4-chlorophenoxy)-N'-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]acetohydrazide is CC(C)n1cnnc1SCC(=O)NNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N'-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]acetohydrazide?
The InChIKey is LCZICSYOQCEBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O3S/c1-10(2)21-9-17-20-15(21)25-8-14(23)19-18-13(22)7-24-12-5-3-11(16)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of 2-(4-chlorophenoxy)-N'-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]acetohydrazide?
2-(4-chlorophenoxy)-N'-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]acetohydrazide has a molecular weight of 383.86 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N'-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]acetohydrazide is sourced from PubChem (CID 7675534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).