6-chloro-N-[(2,3-dimethoxyphenyl)methylideneamino]pyridazin-3-amine

C13H13ClN4O2 — CID 6786588

IUPAC6-chloro-N-[(2,3-dimethoxyphenyl)methylideneamino]pyridazin-3-amine
SMILESCOc1cccc(C=NNc2ccc(Cl)nn2)c1OC
InChIInChI=1S/C13H13ClN4O2/c1-19-10-5-3-4-9(13(10)20-2)8-15-17-12-7-6-11(14)16-18-12/h3-8H,1-2H3,(H,17,18)
InChIKeyKINLMCAIYHNOJM-UHFFFAOYSA-N
MW292.73 g/mol
LogP2.59
Rot. Bonds5

About 6-chloro-N-[(2,3-dimethoxyphenyl)methylideneamino]pyridazin-3-amine

6-chloro-N-[(2,3-dimethoxyphenyl)methylideneamino]pyridazin-3-amine (PubChem CID 6786588) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 6-chloro-N-[(2,3-dimethoxyphenyl)methylideneamino]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(2,3-dimethoxyphenyl)methylideneamino]pyridazin-3-amine
PubChem CID6786588
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name6-chloro-N-[(2,3-dimethoxyphenyl)methylideneamino]pyridazin-3-amine
SMILESCOc1cccc(C=NNc2ccc(Cl)nn2)c1OC
InChIInChI=1S/C13H13ClN4O2/c1-19-10-5-3-4-9(13(10)20-2)8-15-17-12-7-6-11(14)16-18-12/h3-8H,1-2H3,(H,17,18)
InChIKeyKINLMCAIYHNOJM-UHFFFAOYSA-N
XLogP2.59
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2,3-dimethoxyphenyl)methylideneamino]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[(2,3-dimethoxyphenyl)methylideneamino]pyridazin-3-amine (CID 6786588) is 6-chloro-N-[(2,3-dimethoxyphenyl)methylideneamino]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[(2,3-dimethoxyphenyl)methylideneamino]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[(2,3-dimethoxyphenyl)methylideneamino]pyridazin-3-amine is COc1cccc(C=NNc2ccc(Cl)nn2)c1OC.
What is the InChIKey of 6-chloro-N-[(2,3-dimethoxyphenyl)methylideneamino]pyridazin-3-amine?
The InChIKey is KINLMCAIYHNOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-19-10-5-3-4-9(13(10)20-2)8-15-17-12-7-6-11(14)16-18-12/h3-8H,1-2H3,(H,17,18).
What are the key properties of 6-chloro-N-[(2,3-dimethoxyphenyl)methylideneamino]pyridazin-3-amine?
6-chloro-N-[(2,3-dimethoxyphenyl)methylideneamino]pyridazin-3-amine has a molecular weight of 292.73 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2,3-dimethoxyphenyl)methylideneamino]pyridazin-3-amine is sourced from PubChem (CID 6786588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).