5-chloro-4-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one

C10H8ClN5O — CID 5356971

IUPAC5-chloro-4-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N/N=C\c2cccnc2)c1Cl
InChIInChI=1S/C10H8ClN5O/c11-9-8(6-14-16-10(9)17)15-13-5-7-2-1-3-12-4-7/h1-6H,(H2,15,16,17)/b13-5-
InChIKeyREYZJTITUWISAV-ACAGNQJTSA-N
MW249.66 g/mol
LogP1.26
Rot. Bonds3

About 5-chloro-4-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one

5-chloro-4-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one (PubChem CID 5356971) has the molecular formula C10H8ClN5O and a molecular weight of 249.66 g/mol. Its IUPAC name is 5-chloro-4-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one
PubChem CID5356971
Molecular FormulaC10H8ClN5O
Molecular Weight249.66 g/mol
Exact Mass249.04
IUPAC Name5-chloro-4-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N/N=C\c2cccnc2)c1Cl
InChIInChI=1S/C10H8ClN5O/c11-9-8(6-14-16-10(9)17)15-13-5-7-2-1-3-12-4-7/h1-6H,(H2,15,16,17)/b13-5-
InChIKeyREYZJTITUWISAV-ACAGNQJTSA-N
XLogP1.26
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 5-chloro-4-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one (CID 5356971) is 5-chloro-4-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one is O=c1[nH]ncc(N/N=C\c2cccnc2)c1Cl.
What is the InChIKey of 5-chloro-4-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is REYZJTITUWISAV-ACAGNQJTSA-N. The full InChI is InChI=1S/C10H8ClN5O/c11-9-8(6-14-16-10(9)17)15-13-5-7-2-1-3-12-4-7/h1-6H,(H2,15,16,17)/b13-5-.
What are the key properties of 5-chloro-4-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one?
5-chloro-4-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 249.66 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 5356971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).