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

C11H10ClN5O — CID 110512524

IUPAC4-chloro-2-methyl-5-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridazin-3-one
SMILESCn1ncc(N/N=C\c2ccccn2)c(Cl)c1=O
InChIInChI=1S/C11H10ClN5O/c1-17-11(18)10(12)9(7-15-17)16-14-6-8-4-2-3-5-13-8/h2-7,16H,1H3/b14-6-
InChIKeyVESKMGSIRTVFOS-NSIKDUERSA-N
MW263.69 g/mol
LogP1.27
Rot. Bonds3

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

4-chloro-2-methyl-5-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridazin-3-one (PubChem CID 110512524) has the molecular formula C11H10ClN5O and a molecular weight of 263.69 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridazin-3-one
PubChem CID110512524
Molecular FormulaC11H10ClN5O
Molecular Weight263.69 g/mol
Exact Mass263.06
IUPAC Name4-chloro-2-methyl-5-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridazin-3-one
SMILESCn1ncc(N/N=C\c2ccccn2)c(Cl)c1=O
InChIInChI=1S/C11H10ClN5O/c1-17-11(18)10(12)9(7-15-17)16-14-6-8-4-2-3-5-13-8/h2-7,16H,1H3/b14-6-
InChIKeyVESKMGSIRTVFOS-NSIKDUERSA-N
XLogP1.27
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

5-[(2Z)-2-[(3-bromo-4-ethoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one
CID 110512437
4-chloro-2-methyl-5-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one
CID 110512440
5-[(2Z)-2-[(3-bromo-4-hydroxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one
CID 136787482
4-chloro-5-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-methylpyridazin-3-one
CID 136787497
4-chloro-N-(pyridin-2-ylmethylideneamino)aniline
CID 78605778
5-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one
CID 136787477
4-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-2-methylpyridazin-3-one
CID 133364168
4-chloro-2-phenyl-5-[(2Z)-2-propylidenehydrazinyl]pyridazin-3-one
CID 6054872
5-[(1-benzylimidazol-2-yl)methylamino]-4-chloro-2-methylpyridazin-3-one
CID 133324149
CID 72701644
CID 72701644
4-chloro-5-[(2E)-2-[(4-ethylphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 110337470
4-chloro-5-[(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 136787504

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridazin-3-one (CID 110512524) is 4-chloro-2-methyl-5-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridazin-3-one is Cn1ncc(N/N=C\c2ccccn2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridazin-3-one?
The InChIKey is VESKMGSIRTVFOS-NSIKDUERSA-N. The full InChI is InChI=1S/C11H10ClN5O/c1-17-11(18)10(12)9(7-15-17)16-14-6-8-4-2-3-5-13-8/h2-7,16H,1H3/b14-6-.
What are the key properties of 4-chloro-2-methyl-5-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridazin-3-one?
4-chloro-2-methyl-5-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridazin-3-one has a molecular weight of 263.69 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridazin-3-one is sourced from PubChem (CID 110512524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).