2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzohydrazide

C14H13N5O2 — CID 63577897

IUPAC2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzohydrazide
SMILESNNC(=O)c1ccccc1Cn1nc2ccccn2c1=O
InChIInChI=1S/C14H13N5O2/c15-16-13(20)11-6-2-1-5-10(11)9-19-14(21)18-8-4-3-7-12(18)17-19/h1-8H,9,15H2,(H,16,20)
InChIKeyAYYZGCUIKPYORY-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.15
Rot. Bonds3

About 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzohydrazide

2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzohydrazide (PubChem CID 63577897) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzohydrazide
PubChem CID63577897
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzohydrazide
SMILESNNC(=O)c1ccccc1Cn1nc2ccccn2c1=O
InChIInChI=1S/C14H13N5O2/c15-16-13(20)11-6-2-1-5-10(11)9-19-14(21)18-8-4-3-7-12(18)17-19/h1-8H,9,15H2,(H,16,20)
InChIKeyAYYZGCUIKPYORY-UHFFFAOYSA-N
XLogP0.15
TPSA94.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzohydrazide?
The IUPAC name of 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzohydrazide (CID 63577897) is 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzohydrazide.
What is the SMILES notation for 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzohydrazide?
The canonical SMILES for 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzohydrazide is NNC(=O)c1ccccc1Cn1nc2ccccn2c1=O.
What is the InChIKey of 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzohydrazide?
The InChIKey is AYYZGCUIKPYORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c15-16-13(20)11-6-2-1-5-10(11)9-19-14(21)18-8-4-3-7-12(18)17-19/h1-8H,9,15H2,(H,16,20).
What are the key properties of 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzohydrazide?
2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzohydrazide has a molecular weight of 283.29 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzohydrazide is sourced from PubChem (CID 63577897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).