2-(4-chlorophenoxy)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetohydrazide

C16H14ClN5O3S — CID 7888739

IUPAC2-(4-chlorophenoxy)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetohydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNC(=O)CSc1nnc2ccccn12
InChIInChI=1S/C16H14ClN5O3S/c17-11-4-6-12(7-5-11)25-9-14(23)19-20-15(24)10-26-16-21-18-13-3-1-2-8-22(13)16/h1-8H,9-10H2,(H,19,23)(H,20,24)
InChIKeyZKLBPARJUCGIIE-UHFFFAOYSA-N
MW391.84 g/mol
LogP1.70
Rot. Bonds6

About 2-(4-chlorophenoxy)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetohydrazide

2-(4-chlorophenoxy)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetohydrazide (PubChem CID 7888739) has the molecular formula C16H14ClN5O3S and a molecular weight of 391.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetohydrazide
PubChem CID7888739
Molecular FormulaC16H14ClN5O3S
Molecular Weight391.84 g/mol
Exact Mass391.05
IUPAC Name2-(4-chlorophenoxy)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetohydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNC(=O)CSc1nnc2ccccn12
InChIInChI=1S/C16H14ClN5O3S/c17-11-4-6-12(7-5-11)25-9-14(23)19-20-15(24)10-26-16-21-18-13-3-1-2-8-22(13)16/h1-8H,9-10H2,(H,19,23)(H,20,24)
InChIKeyZKLBPARJUCGIIE-UHFFFAOYSA-N
XLogP1.70
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.84
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]furan-2-carbohydrazide
CID 9373294
2-(4-chlorophenoxy)-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]acetohydrazide
CID 2567469
N-[4-(difluoromethoxy)phenyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2613279
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 4811629
methyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
CID 15627151
2-(4-propan-2-ylphenoxy)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91947721
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7558440
N-(2-phenylethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 4639061
N-[(2S)-butan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 8015110
2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 1023267
2-(4-phenylmethoxyphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021061
N'-[2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 16542483

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetohydrazide?
The IUPAC name of 2-(4-chlorophenoxy)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetohydrazide (CID 7888739) is 2-(4-chlorophenoxy)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetohydrazide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetohydrazide?
The canonical SMILES for 2-(4-chlorophenoxy)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetohydrazide is O=C(COc1ccc(Cl)cc1)NNC(=O)CSc1nnc2ccccn12.
What is the InChIKey of 2-(4-chlorophenoxy)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetohydrazide?
The InChIKey is ZKLBPARJUCGIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O3S/c17-11-4-6-12(7-5-11)25-9-14(23)19-20-15(24)10-26-16-21-18-13-3-1-2-8-22(13)16/h1-8H,9-10H2,(H,19,23)(H,20,24).
What are the key properties of 2-(4-chlorophenoxy)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetohydrazide?
2-(4-chlorophenoxy)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetohydrazide has a molecular weight of 391.84 g/mol, XLogP of 1.70, 6 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-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetohydrazide is sourced from PubChem (CID 7888739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).