3-(2,6-dimethoxy-3-pyridinyl)-6-methylpyridazine

C12H13N3O2 — CID 70870882

IUPAC3-(2,6-dimethoxy-3-pyridinyl)-6-methylpyridazine
SMILESCOc1ccc(-c2ccc(C)nn2)c(OC)n1
InChIInChI=1S/C12H13N3O2/c1-8-4-6-10(15-14-8)9-5-7-11(16-2)13-12(9)17-3/h4-7H,1-3H3
InChIKeyYTKDLOHJLSNZIS-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.86
Rot. Bonds3

About 3-(2,6-dimethoxy-3-pyridinyl)-6-methylpyridazine

3-(2,6-dimethoxy-3-pyridinyl)-6-methylpyridazine (PubChem CID 70870882) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-(2,6-dimethoxy-3-pyridinyl)-6-methylpyridazine.

Molecular Properties

Compound Name3-(2,6-dimethoxy-3-pyridinyl)-6-methylpyridazine
PubChem CID70870882
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-(2,6-dimethoxy-3-pyridinyl)-6-methylpyridazine
SMILESCOc1ccc(-c2ccc(C)nn2)c(OC)n1
InChIInChI=1S/C12H13N3O2/c1-8-4-6-10(15-14-8)9-5-7-11(16-2)13-12(9)17-3/h4-7H,1-3H3
InChIKeyYTKDLOHJLSNZIS-UHFFFAOYSA-N
XLogP1.86
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxy-3-pyridinyl)-6-methylpyridazine?
The IUPAC name of 3-(2,6-dimethoxy-3-pyridinyl)-6-methylpyridazine (CID 70870882) is 3-(2,6-dimethoxy-3-pyridinyl)-6-methylpyridazine.
What is the SMILES notation for 3-(2,6-dimethoxy-3-pyridinyl)-6-methylpyridazine?
The canonical SMILES for 3-(2,6-dimethoxy-3-pyridinyl)-6-methylpyridazine is COc1ccc(-c2ccc(C)nn2)c(OC)n1.
What is the InChIKey of 3-(2,6-dimethoxy-3-pyridinyl)-6-methylpyridazine?
The InChIKey is YTKDLOHJLSNZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-4-6-10(15-14-8)9-5-7-11(16-2)13-12(9)17-3/h4-7H,1-3H3.
What are the key properties of 3-(2,6-dimethoxy-3-pyridinyl)-6-methylpyridazine?
3-(2,6-dimethoxy-3-pyridinyl)-6-methylpyridazine has a molecular weight of 231.25 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxy-3-pyridinyl)-6-methylpyridazine is sourced from PubChem (CID 70870882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).