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

C15H13N5O2S — CID 2613271

IUPACN'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide
SMILESO=C(CSc1nnc2ccccn12)NNC(=O)c1ccccc1
InChIInChI=1S/C15H13N5O2S/c21-13(17-18-14(22)11-6-2-1-3-7-11)10-23-15-19-16-12-8-4-5-9-20(12)15/h1-9H,10H2,(H,17,21)(H,18,22)
InChIKeyYISALNQNUARXJT-UHFFFAOYSA-N
MW327.37 g/mol
LogP1.28
Rot. Bonds4

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

N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide (PubChem CID 2613271) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide
PubChem CID2613271
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC NameN'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide
SMILESO=C(CSc1nnc2ccccn12)NNC(=O)c1ccccc1
InChIInChI=1S/C15H13N5O2S/c21-13(17-18-14(22)11-6-2-1-3-7-11)10-23-15-19-16-12-8-4-5-9-20(12)15/h1-9H,10H2,(H,17,21)(H,18,22)
InChIKeyYISALNQNUARXJT-UHFFFAOYSA-N
XLogP1.28
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide?
The IUPAC name of N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide (CID 2613271) is N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide?
The canonical SMILES for N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide is O=C(CSc1nnc2ccccn12)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide?
The InChIKey is YISALNQNUARXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c21-13(17-18-14(22)11-6-2-1-3-7-11)10-23-15-19-16-12-8-4-5-9-20(12)15/h1-9H,10H2,(H,17,21)(H,18,22).
What are the key properties of N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide?
N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide has a molecular weight of 327.37 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide is sourced from PubChem (CID 2613271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).