3-chloro-6-(methoxymethyl)pyridazin-4-amine

C6H8ClN3O — CID 117104933

IUPAC3-chloro-6-(methoxymethyl)pyridazin-4-amine
SMILESCOCc1cc(N)c(Cl)nn1
InChIInChI=1S/C6H8ClN3O/c1-11-3-4-2-5(8)6(7)10-9-4/h2H,3H2,1H3,(H2,8,9)
InChIKeyIMVMQPKSHLPKLF-UHFFFAOYSA-N
MW173.60 g/mol
LogP0.86
Rot. Bonds2

About 3-chloro-6-(methoxymethyl)pyridazin-4-amine

3-chloro-6-(methoxymethyl)pyridazin-4-amine (PubChem CID 117104933) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is 3-chloro-6-(methoxymethyl)pyridazin-4-amine.

Molecular Properties

Compound Name3-chloro-6-(methoxymethyl)pyridazin-4-amine
PubChem CID117104933
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC Name3-chloro-6-(methoxymethyl)pyridazin-4-amine
SMILESCOCc1cc(N)c(Cl)nn1
InChIInChI=1S/C6H8ClN3O/c1-11-3-4-2-5(8)6(7)10-9-4/h2H,3H2,1H3,(H2,8,9)
InChIKeyIMVMQPKSHLPKLF-UHFFFAOYSA-N
XLogP0.86
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(methoxymethyl)pyridazin-4-amine?
The IUPAC name of 3-chloro-6-(methoxymethyl)pyridazin-4-amine (CID 117104933) is 3-chloro-6-(methoxymethyl)pyridazin-4-amine.
What is the SMILES notation for 3-chloro-6-(methoxymethyl)pyridazin-4-amine?
The canonical SMILES for 3-chloro-6-(methoxymethyl)pyridazin-4-amine is COCc1cc(N)c(Cl)nn1.
What is the InChIKey of 3-chloro-6-(methoxymethyl)pyridazin-4-amine?
The InChIKey is IMVMQPKSHLPKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O/c1-11-3-4-2-5(8)6(7)10-9-4/h2H,3H2,1H3,(H2,8,9).
What are the key properties of 3-chloro-6-(methoxymethyl)pyridazin-4-amine?
3-chloro-6-(methoxymethyl)pyridazin-4-amine has a molecular weight of 173.60 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(methoxymethyl)pyridazin-4-amine is sourced from PubChem (CID 117104933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).