3,6-dichloro-N-(2,3-dimethylcyclobutyl)pyridazin-4-amine

C10H13Cl2N3 — CID 130905616

IUPAC3,6-dichloro-N-(2,3-dimethylcyclobutyl)pyridazin-4-amine
SMILESCC1CC(Nc2cc(Cl)nnc2Cl)C1C
InChIInChI=1S/C10H13Cl2N3/c1-5-3-7(6(5)2)13-8-4-9(11)14-15-10(8)12/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyHKPXBHVUDFWUNH-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.24
Rot. Bonds2

About 3,6-dichloro-N-(2,3-dimethylcyclobutyl)pyridazin-4-amine

3,6-dichloro-N-(2,3-dimethylcyclobutyl)pyridazin-4-amine (PubChem CID 130905616) has the molecular formula C10H13Cl2N3 and a molecular weight of 246.14 g/mol. Its IUPAC name is 3,6-dichloro-N-(2,3-dimethylcyclobutyl)pyridazin-4-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(2,3-dimethylcyclobutyl)pyridazin-4-amine
PubChem CID130905616
Molecular FormulaC10H13Cl2N3
Molecular Weight246.14 g/mol
Exact Mass245.05
IUPAC Name3,6-dichloro-N-(2,3-dimethylcyclobutyl)pyridazin-4-amine
SMILESCC1CC(Nc2cc(Cl)nnc2Cl)C1C
InChIInChI=1S/C10H13Cl2N3/c1-5-3-7(6(5)2)13-8-4-9(11)14-15-10(8)12/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyHKPXBHVUDFWUNH-UHFFFAOYSA-N
XLogP3.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2,3-dimethylcyclobutyl)pyridazin-4-amine?
The IUPAC name of 3,6-dichloro-N-(2,3-dimethylcyclobutyl)pyridazin-4-amine (CID 130905616) is 3,6-dichloro-N-(2,3-dimethylcyclobutyl)pyridazin-4-amine.
What is the SMILES notation for 3,6-dichloro-N-(2,3-dimethylcyclobutyl)pyridazin-4-amine?
The canonical SMILES for 3,6-dichloro-N-(2,3-dimethylcyclobutyl)pyridazin-4-amine is CC1CC(Nc2cc(Cl)nnc2Cl)C1C.
What is the InChIKey of 3,6-dichloro-N-(2,3-dimethylcyclobutyl)pyridazin-4-amine?
The InChIKey is HKPXBHVUDFWUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3/c1-5-3-7(6(5)2)13-8-4-9(11)14-15-10(8)12/h4-7H,3H2,1-2H3,(H,13,14).
What are the key properties of 3,6-dichloro-N-(2,3-dimethylcyclobutyl)pyridazin-4-amine?
3,6-dichloro-N-(2,3-dimethylcyclobutyl)pyridazin-4-amine has a molecular weight of 246.14 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2,3-dimethylcyclobutyl)pyridazin-4-amine is sourced from PubChem (CID 130905616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).