3-chloro-4,5-dimethyl-6-(2-methylpentoxy)pyridazine

C12H19ClN2O — CID 103283695

IUPAC3-chloro-4,5-dimethyl-6-(2-methylpentoxy)pyridazine
SMILESCCCC(C)COc1nnc(Cl)c(C)c1C
InChIInChI=1S/C12H19ClN2O/c1-5-6-8(2)7-16-12-10(4)9(3)11(13)14-15-12/h8H,5-7H2,1-4H3
InChIKeyAZGJWQDGKSGQCB-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.56
Rot. Bonds5

About 3-chloro-4,5-dimethyl-6-(2-methylpentoxy)pyridazine

3-chloro-4,5-dimethyl-6-(2-methylpentoxy)pyridazine (PubChem CID 103283695) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 3-chloro-4,5-dimethyl-6-(2-methylpentoxy)pyridazine.

Molecular Properties

Compound Name3-chloro-4,5-dimethyl-6-(2-methylpentoxy)pyridazine
PubChem CID103283695
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name3-chloro-4,5-dimethyl-6-(2-methylpentoxy)pyridazine
SMILESCCCC(C)COc1nnc(Cl)c(C)c1C
InChIInChI=1S/C12H19ClN2O/c1-5-6-8(2)7-16-12-10(4)9(3)11(13)14-15-12/h8H,5-7H2,1-4H3
InChIKeyAZGJWQDGKSGQCB-UHFFFAOYSA-N
XLogP3.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-ethyl-5-methyl-6-(2-methylpentoxy)pyrimidine
CID 103283665
4-chloro-6-(2-methylpentoxy)-5-propylpyrimidine
CID 103283660
3,5-dichloro-6-(2-methylpentoxy)-N-propylpyridin-2-amine
CID 103286396
5,6-diethyl-3-(2-methylpentoxy)pyridazine-4-carbothioamide
CID 103283785
5-bromo-4-(2-methylpentoxy)pyrimidine
CID 103284587
6-chloro-4-(2-methylpentoxy)-1H-pyrazolo[5,4-d]pyrimidine
CID 103283689
3-chloro-6-(2-ethoxyphenoxy)-4,5-dimethylpyridazine
CID 63271999
2-(chloromethyl)-5-(2-methylpentoxy)-1,3,4-thiadiazole
CID 103284550
2-chloro-6-(2-methylpentoxy)pyridine
CID 103283629
4-chloro-2-(2-methylpentoxy)-1,3-thiazole-5-carbaldehyde
CID 103284055
5-amino-6-(2-methylpentoxy)pyridine-2-carboxamide
CID 103284510
6-chloro-N-hexan-2-yl-4,5-dimethylpyridazin-3-amine
CID 63271524

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethyl-6-(2-methylpentoxy)pyridazine?
The IUPAC name of 3-chloro-4,5-dimethyl-6-(2-methylpentoxy)pyridazine (CID 103283695) is 3-chloro-4,5-dimethyl-6-(2-methylpentoxy)pyridazine.
What is the SMILES notation for 3-chloro-4,5-dimethyl-6-(2-methylpentoxy)pyridazine?
The canonical SMILES for 3-chloro-4,5-dimethyl-6-(2-methylpentoxy)pyridazine is CCCC(C)COc1nnc(Cl)c(C)c1C.
What is the InChIKey of 3-chloro-4,5-dimethyl-6-(2-methylpentoxy)pyridazine?
The InChIKey is AZGJWQDGKSGQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-5-6-8(2)7-16-12-10(4)9(3)11(13)14-15-12/h8H,5-7H2,1-4H3.
What are the key properties of 3-chloro-4,5-dimethyl-6-(2-methylpentoxy)pyridazine?
3-chloro-4,5-dimethyl-6-(2-methylpentoxy)pyridazine has a molecular weight of 242.75 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethyl-6-(2-methylpentoxy)pyridazine is sourced from PubChem (CID 103283695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).