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

C7H10ClN3O — CID 117104976

IUPAC4-chloro-6-(2-methoxyethyl)pyridazin-3-amine
SMILESCOCCc1cc(Cl)c(N)nn1
InChIInChI=1S/C7H10ClN3O/c1-12-3-2-5-4-6(8)7(9)11-10-5/h4H,2-3H2,1H3,(H2,9,11)
InChIKeyMZCIDYHYQAWMDJ-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.90
Rot. Bonds3

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

4-chloro-6-(2-methoxyethyl)pyridazin-3-amine (PubChem CID 117104976) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 4-chloro-6-(2-methoxyethyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-chloro-6-(2-methoxyethyl)pyridazin-3-amine
PubChem CID117104976
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name4-chloro-6-(2-methoxyethyl)pyridazin-3-amine
SMILESCOCCc1cc(Cl)c(N)nn1
InChIInChI=1S/C7H10ClN3O/c1-12-3-2-5-4-6(8)7(9)11-10-5/h4H,2-3H2,1H3,(H2,9,11)
InChIKeyMZCIDYHYQAWMDJ-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 4-chloro-6-(2-methoxyethyl)pyridazin-3-amine?
The IUPAC name of 4-chloro-6-(2-methoxyethyl)pyridazin-3-amine (CID 117104976) is 4-chloro-6-(2-methoxyethyl)pyridazin-3-amine.
What is the SMILES notation for 4-chloro-6-(2-methoxyethyl)pyridazin-3-amine?
The canonical SMILES for 4-chloro-6-(2-methoxyethyl)pyridazin-3-amine is COCCc1cc(Cl)c(N)nn1.
What is the InChIKey of 4-chloro-6-(2-methoxyethyl)pyridazin-3-amine?
The InChIKey is MZCIDYHYQAWMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-12-3-2-5-4-6(8)7(9)11-10-5/h4H,2-3H2,1H3,(H2,9,11).
What are the key properties of 4-chloro-6-(2-methoxyethyl)pyridazin-3-amine?
4-chloro-6-(2-methoxyethyl)pyridazin-3-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 4-chloro-6-(2-methoxyethyl)pyridazin-3-amine is sourced from PubChem (CID 117104976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).