6-chloro-N-(propan-2-ylideneamino)pyridazin-3-amine

C7H9ClN4 — CID 12713261

IUPAC6-chloro-N-(propan-2-ylideneamino)pyridazin-3-amine
SMILESCC(C)=NNc1ccc(Cl)nn1
InChIInChI=1S/C7H9ClN4/c1-5(2)9-11-7-4-3-6(8)10-12-7/h3-4H,1-2H3,(H,11,12)
InChIKeyHMNOCJXHKDGAMF-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.94
Rot. Bonds2

About 6-chloro-N-(propan-2-ylideneamino)pyridazin-3-amine

6-chloro-N-(propan-2-ylideneamino)pyridazin-3-amine (PubChem CID 12713261) has the molecular formula C7H9ClN4 and a molecular weight of 184.63 g/mol. Its IUPAC name is 6-chloro-N-(propan-2-ylideneamino)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(propan-2-ylideneamino)pyridazin-3-amine
PubChem CID12713261
Molecular FormulaC7H9ClN4
Molecular Weight184.63 g/mol
Exact Mass184.05
IUPAC Name6-chloro-N-(propan-2-ylideneamino)pyridazin-3-amine
SMILESCC(C)=NNc1ccc(Cl)nn1
InChIInChI=1S/C7H9ClN4/c1-5(2)9-11-7-4-3-6(8)10-12-7/h3-4H,1-2H3,(H,11,12)
InChIKeyHMNOCJXHKDGAMF-UHFFFAOYSA-N
XLogP1.94
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(propan-2-ylideneamino)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-(propan-2-ylideneamino)pyridazin-3-amine (CID 12713261) is 6-chloro-N-(propan-2-ylideneamino)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(propan-2-ylideneamino)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(propan-2-ylideneamino)pyridazin-3-amine is CC(C)=NNc1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(propan-2-ylideneamino)pyridazin-3-amine?
The InChIKey is HMNOCJXHKDGAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4/c1-5(2)9-11-7-4-3-6(8)10-12-7/h3-4H,1-2H3,(H,11,12).
What are the key properties of 6-chloro-N-(propan-2-ylideneamino)pyridazin-3-amine?
6-chloro-N-(propan-2-ylideneamino)pyridazin-3-amine has a molecular weight of 184.63 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(propan-2-ylideneamino)pyridazin-3-amine is sourced from PubChem (CID 12713261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).