6-chloro-N-(propylideneamino)pyridazin-3-amine

C7H9ClN4 — CID 131878411

IUPAC6-chloro-N-(propylideneamino)pyridazin-3-amine
SMILESCCC=NNc1ccc(Cl)nn1
InChIInChI=1S/C7H9ClN4/c1-2-5-9-11-7-4-3-6(8)10-12-7/h3-5H,2H2,1H3,(H,11,12)
InChIKeyZVEIMLASKAPXGA-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.94
Rot. Bonds3

About 6-chloro-N-(propylideneamino)pyridazin-3-amine

6-chloro-N-(propylideneamino)pyridazin-3-amine (PubChem CID 131878411) has the molecular formula C7H9ClN4 and a molecular weight of 184.63 g/mol. Its IUPAC name is 6-chloro-N-(propylideneamino)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(propylideneamino)pyridazin-3-amine
PubChem CID131878411
Molecular FormulaC7H9ClN4
Molecular Weight184.63 g/mol
Exact Mass184.05
IUPAC Name6-chloro-N-(propylideneamino)pyridazin-3-amine
SMILESCCC=NNc1ccc(Cl)nn1
InChIInChI=1S/C7H9ClN4/c1-2-5-9-11-7-4-3-6(8)10-12-7/h3-5H,2H2,1H3,(H,11,12)
InChIKeyZVEIMLASKAPXGA-UHFFFAOYSA-N
XLogP1.94
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-Chloro-6-hydrazinopyridazine
CID 100787
6-Amino-3-chloropyridazine
CID 21643
2-Butanone, 4-methoxy-, 2-(6-chloro-3-pyridazinyl)hydrazone
CID 44147309
5-Chloropyridazin-3-amine
CID 13670605
4,6-Dichloropyridazin-3-amine
CID 57786789
3-Pyridazinamine, 6-chloro-N-(trimethylsilyl)-
CID 23263307
6-chloro-N-(cyclopentylideneamino)pyridazin-3-amine
CID 600365
Agn-PC-00hmcx
CID 11859034
3-Chloro-6-[2-(propan-2-ylidene)hydrazinyl]pyridazine
CID 12713261
3-chloro-4H-pyridazin-4-ylium-6-amine
CID 138984644
3-Amino-6-chloropyridazinium chloride
CID 139073514
6-Chloro-N-nitropyridazin-3-amine
CID 3017250

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(propylideneamino)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-(propylideneamino)pyridazin-3-amine (CID 131878411) is 6-chloro-N-(propylideneamino)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(propylideneamino)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(propylideneamino)pyridazin-3-amine is CCC=NNc1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(propylideneamino)pyridazin-3-amine?
The InChIKey is ZVEIMLASKAPXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4/c1-2-5-9-11-7-4-3-6(8)10-12-7/h3-5H,2H2,1H3,(H,11,12).
What are the key properties of 6-chloro-N-(propylideneamino)pyridazin-3-amine?
6-chloro-N-(propylideneamino)pyridazin-3-amine has a molecular weight of 184.63 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(propylideneamino)pyridazin-3-amine is sourced from PubChem (CID 131878411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).