3-chloro-6-(2-methoxyethyl)pyridazin-4-amine

C7H10ClN3O — CID 117104970

IUPAC3-chloro-6-(2-methoxyethyl)pyridazin-4-amine
SMILESCOCCc1cc(N)c(Cl)nn1
InChIInChI=1S/C7H10ClN3O/c1-12-3-2-5-4-6(9)7(8)11-10-5/h4H,2-3H2,1H3,(H2,9,10)
InChIKeyFCIBUOZYUIYELV-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.90
Rot. Bonds3

About 3-chloro-6-(2-methoxyethyl)pyridazin-4-amine

3-chloro-6-(2-methoxyethyl)pyridazin-4-amine (PubChem CID 117104970) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 3-chloro-6-(2-methoxyethyl)pyridazin-4-amine.

Molecular Properties

Compound Name3-chloro-6-(2-methoxyethyl)pyridazin-4-amine
PubChem CID117104970
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name3-chloro-6-(2-methoxyethyl)pyridazin-4-amine
SMILESCOCCc1cc(N)c(Cl)nn1
InChIInChI=1S/C7H10ClN3O/c1-12-3-2-5-4-6(9)7(8)11-10-5/h4H,2-3H2,1H3,(H2,9,10)
InChIKeyFCIBUOZYUIYELV-UHFFFAOYSA-N
XLogP0.90
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-methoxyethyl)pyridazin-4-amine?
The IUPAC name of 3-chloro-6-(2-methoxyethyl)pyridazin-4-amine (CID 117104970) is 3-chloro-6-(2-methoxyethyl)pyridazin-4-amine.
What is the SMILES notation for 3-chloro-6-(2-methoxyethyl)pyridazin-4-amine?
The canonical SMILES for 3-chloro-6-(2-methoxyethyl)pyridazin-4-amine is COCCc1cc(N)c(Cl)nn1.
What is the InChIKey of 3-chloro-6-(2-methoxyethyl)pyridazin-4-amine?
The InChIKey is FCIBUOZYUIYELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-12-3-2-5-4-6(9)7(8)11-10-5/h4H,2-3H2,1H3,(H2,9,10).
What are the key properties of 3-chloro-6-(2-methoxyethyl)pyridazin-4-amine?
3-chloro-6-(2-methoxyethyl)pyridazin-4-amine has a molecular weight of 187.63 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-methoxyethyl)pyridazin-4-amine is sourced from PubChem (CID 117104970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).