6-chloro-N-(3-fluoropropyl)pyridazin-4-amine

C7H9ClFN3 — CID 130505168

IUPAC6-chloro-N-(3-fluoropropyl)pyridazin-4-amine
SMILESFCCCNc1cnnc(Cl)c1
InChIInChI=1S/C7H9ClFN3/c8-7-4-6(5-11-12-7)10-3-1-2-9/h4-5H,1-3H2,(H,10,12)
InChIKeyGTFQQWOHCNKSBL-UHFFFAOYSA-N
MW189.62 g/mol
LogP1.90
Rot. Bonds4

About 6-chloro-N-(3-fluoropropyl)pyridazin-4-amine

6-chloro-N-(3-fluoropropyl)pyridazin-4-amine (PubChem CID 130505168) has the molecular formula C7H9ClFN3 and a molecular weight of 189.62 g/mol. Its IUPAC name is 6-chloro-N-(3-fluoropropyl)pyridazin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-fluoropropyl)pyridazin-4-amine
PubChem CID130505168
Molecular FormulaC7H9ClFN3
Molecular Weight189.62 g/mol
Exact Mass189.05
IUPAC Name6-chloro-N-(3-fluoropropyl)pyridazin-4-amine
SMILESFCCCNc1cnnc(Cl)c1
InChIInChI=1S/C7H9ClFN3/c8-7-4-6(5-11-12-7)10-3-1-2-9/h4-5H,1-3H2,(H,10,12)
InChIKeyGTFQQWOHCNKSBL-UHFFFAOYSA-N
XLogP1.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-fluoropropyl)pyridazin-4-amine?
The IUPAC name of 6-chloro-N-(3-fluoropropyl)pyridazin-4-amine (CID 130505168) is 6-chloro-N-(3-fluoropropyl)pyridazin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-fluoropropyl)pyridazin-4-amine?
The canonical SMILES for 6-chloro-N-(3-fluoropropyl)pyridazin-4-amine is FCCCNc1cnnc(Cl)c1.
What is the InChIKey of 6-chloro-N-(3-fluoropropyl)pyridazin-4-amine?
The InChIKey is GTFQQWOHCNKSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClFN3/c8-7-4-6(5-11-12-7)10-3-1-2-9/h4-5H,1-3H2,(H,10,12).
What are the key properties of 6-chloro-N-(3-fluoropropyl)pyridazin-4-amine?
6-chloro-N-(3-fluoropropyl)pyridazin-4-amine has a molecular weight of 189.62 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-fluoropropyl)pyridazin-4-amine is sourced from PubChem (CID 130505168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).