6-chloro-5-(ethoxymethyl)-4-methylpyridazin-3-amine

C8H12ClN3O — CID 155592254

IUPAC6-chloro-5-(ethoxymethyl)-4-methylpyridazin-3-amine
SMILESCCOCc1c(Cl)nnc(N)c1C
InChIInChI=1S/C8H12ClN3O/c1-3-13-4-6-5(2)8(10)12-11-7(6)9/h3-4H2,1-2H3,(H2,10,12)
InChIKeyDDNHXWSQQWJVRN-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.56
Rot. Bonds3

About 6-chloro-5-(ethoxymethyl)-4-methylpyridazin-3-amine

6-chloro-5-(ethoxymethyl)-4-methylpyridazin-3-amine (PubChem CID 155592254) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 6-chloro-5-(ethoxymethyl)-4-methylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-5-(ethoxymethyl)-4-methylpyridazin-3-amine
PubChem CID155592254
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name6-chloro-5-(ethoxymethyl)-4-methylpyridazin-3-amine
SMILESCCOCc1c(Cl)nnc(N)c1C
InChIInChI=1S/C8H12ClN3O/c1-3-13-4-6-5(2)8(10)12-11-7(6)9/h3-4H2,1-2H3,(H2,10,12)
InChIKeyDDNHXWSQQWJVRN-UHFFFAOYSA-N
XLogP1.56
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(ethoxymethyl)-4-methylpyridazin-3-amine?
The IUPAC name of 6-chloro-5-(ethoxymethyl)-4-methylpyridazin-3-amine (CID 155592254) is 6-chloro-5-(ethoxymethyl)-4-methylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-5-(ethoxymethyl)-4-methylpyridazin-3-amine?
The canonical SMILES for 6-chloro-5-(ethoxymethyl)-4-methylpyridazin-3-amine is CCOCc1c(Cl)nnc(N)c1C.
What is the InChIKey of 6-chloro-5-(ethoxymethyl)-4-methylpyridazin-3-amine?
The InChIKey is DDNHXWSQQWJVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-3-13-4-6-5(2)8(10)12-11-7(6)9/h3-4H2,1-2H3,(H2,10,12).
What are the key properties of 6-chloro-5-(ethoxymethyl)-4-methylpyridazin-3-amine?
6-chloro-5-(ethoxymethyl)-4-methylpyridazin-3-amine has a molecular weight of 201.66 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(ethoxymethyl)-4-methylpyridazin-3-amine is sourced from PubChem (CID 155592254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).