[3-(2,5-dichlorophenoxy)-5,6-dimethylpyridazin-4-yl]methanamine

C13H13Cl2N3O — CID 61098837

IUPAC[3-(2,5-dichlorophenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
SMILESCc1nnc(Oc2cc(Cl)ccc2Cl)c(CN)c1C
InChIInChI=1S/C13H13Cl2N3O/c1-7-8(2)17-18-13(10(7)6-16)19-12-5-9(14)3-4-11(12)15/h3-5H,6,16H2,1-2H3
InChIKeyCFTAPEBASJFLRM-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.65
Rot. Bonds3

About [3-(2,5-dichlorophenoxy)-5,6-dimethylpyridazin-4-yl]methanamine

[3-(2,5-dichlorophenoxy)-5,6-dimethylpyridazin-4-yl]methanamine (PubChem CID 61098837) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is [3-(2,5-dichlorophenoxy)-5,6-dimethylpyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2,5-dichlorophenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
PubChem CID61098837
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name[3-(2,5-dichlorophenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
SMILESCc1nnc(Oc2cc(Cl)ccc2Cl)c(CN)c1C
InChIInChI=1S/C13H13Cl2N3O/c1-7-8(2)17-18-13(10(7)6-16)19-12-5-9(14)3-4-11(12)15/h3-5H,6,16H2,1-2H3
InChIKeyCFTAPEBASJFLRM-UHFFFAOYSA-N
XLogP3.65
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096824
[3-(3,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61097021
[3-(2-ethoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096422
[3-(5-chloro-2-methylphenoxy)-5,6-diethylpyridazin-4-yl]methanamine
CID 80508376
[5-chloro-6-(2,5-dichlorophenoxy)-3-pyridinyl]methanamine
CID 62296562
(5,6-dimethyl-3-naphthalen-2-yloxypyridazin-4-yl)methanamine
CID 61097627
[3-(4-ethyl-2-methoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 107663637
2-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]oxybenzamide
CID 61095824
[3-(2-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61097824
1-chloro-4-(2,5-dichlorophenoxy)phthalazine
CID 62140044
[3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 107663591
2-(2,5-dichlorophenoxy)-6-methylpyridin-3-amine
CID 81132243

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dichlorophenoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The IUPAC name of [3-(2,5-dichlorophenoxy)-5,6-dimethylpyridazin-4-yl]methanamine (CID 61098837) is [3-(2,5-dichlorophenoxy)-5,6-dimethylpyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(2,5-dichlorophenoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The canonical SMILES for [3-(2,5-dichlorophenoxy)-5,6-dimethylpyridazin-4-yl]methanamine is Cc1nnc(Oc2cc(Cl)ccc2Cl)c(CN)c1C.
What is the InChIKey of [3-(2,5-dichlorophenoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The InChIKey is CFTAPEBASJFLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-7-8(2)17-18-13(10(7)6-16)19-12-5-9(14)3-4-11(12)15/h3-5H,6,16H2,1-2H3.
What are the key properties of [3-(2,5-dichlorophenoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
[3-(2,5-dichlorophenoxy)-5,6-dimethylpyridazin-4-yl]methanamine has a molecular weight of 298.17 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dichlorophenoxy)-5,6-dimethylpyridazin-4-yl]methanamine is sourced from PubChem (CID 61098837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).