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

C8H12ClN3O — CID 9179275

IUPAC6-chloro-N-(3-methoxypropyl)pyridazin-3-amine
SMILESCOCCCNc1ccc(Cl)nn1
InChIInChI=1S/C8H12ClN3O/c1-13-6-2-5-10-8-4-3-7(9)11-12-8/h3-4H,2,5-6H2,1H3,(H,10,12)
InChIKeyCPBNDYWWQHHHFQ-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.58
Rot. Bonds5

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

6-chloro-N-(3-methoxypropyl)pyridazin-3-amine (PubChem CID 9179275) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 6-chloro-N-(3-methoxypropyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(3-methoxypropyl)pyridazin-3-amine
PubChem CID9179275
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name6-chloro-N-(3-methoxypropyl)pyridazin-3-amine
SMILESCOCCCNc1ccc(Cl)nn1
InChIInChI=1S/C8H12ClN3O/c1-13-6-2-5-10-8-4-3-7(9)11-12-8/h3-4H,2,5-6H2,1H3,(H,10,12)
InChIKeyCPBNDYWWQHHHFQ-UHFFFAOYSA-N
XLogP1.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxypropyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-(3-methoxypropyl)pyridazin-3-amine (CID 9179275) is 6-chloro-N-(3-methoxypropyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(3-methoxypropyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(3-methoxypropyl)pyridazin-3-amine is COCCCNc1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(3-methoxypropyl)pyridazin-3-amine?
The InChIKey is CPBNDYWWQHHHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-13-6-2-5-10-8-4-3-7(9)11-12-8/h3-4H,2,5-6H2,1H3,(H,10,12).
What are the key properties of 6-chloro-N-(3-methoxypropyl)pyridazin-3-amine?
6-chloro-N-(3-methoxypropyl)pyridazin-3-amine has a molecular weight of 201.66 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methoxypropyl)pyridazin-3-amine is sourced from PubChem (CID 9179275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).