2-(2,4-dimethoxypyrimidin-5-yl)-[1,2,4]triazolo[1,5-b]pyridazine

C11H10N6O2 — CID 167436310

IUPAC2-(2,4-dimethoxypyrimidin-5-yl)-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCOc1ncc(-c2nc3cccnn3n2)c(OC)n1
InChIInChI=1S/C11H10N6O2/c1-18-10-7(6-12-11(15-10)19-2)9-14-8-4-3-5-13-17(8)16-9/h3-6H,1-2H3
InChIKeyGHJCAGUCGYLOAM-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.60
Rot. Bonds3

About 2-(2,4-dimethoxypyrimidin-5-yl)-[1,2,4]triazolo[1,5-b]pyridazine

2-(2,4-dimethoxypyrimidin-5-yl)-[1,2,4]triazolo[1,5-b]pyridazine (PubChem CID 167436310) has the molecular formula C11H10N6O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-(2,4-dimethoxypyrimidin-5-yl)-[1,2,4]triazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name2-(2,4-dimethoxypyrimidin-5-yl)-[1,2,4]triazolo[1,5-b]pyridazine
PubChem CID167436310
Molecular FormulaC11H10N6O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name2-(2,4-dimethoxypyrimidin-5-yl)-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCOc1ncc(-c2nc3cccnn3n2)c(OC)n1
InChIInChI=1S/C11H10N6O2/c1-18-10-7(6-12-11(15-10)19-2)9-14-8-4-3-5-13-17(8)16-9/h3-6H,1-2H3
InChIKeyGHJCAGUCGYLOAM-UHFFFAOYSA-N
XLogP0.60
TPSA87.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2,4-dimethoxy-5-(4-methylphenyl)pyrimidine
CID 90464410
8-(2,4-dimethoxypyrimidin-5-yl)quinoline
CID 39749827
2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine
CID 76538776
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine
CID 166827416
2,4-dimethoxy-5-[6-methyl-5-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]pyridazin-3-yl]pyrimidine
CID 166934989
8-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157034675
4-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]quinoline
CID 157032355
2-bromo-[1,2,4]triazolo[1,5-b]pyridazine
CID 170901694
5-(2,4-dimethoxyphenyl)-2,4-dimethoxypyrimidine
CID 141069506
2,4-dimethoxy-5-(4-propylphenyl)pyrimidine
CID 71176850
7-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-5-(trifluoromethyl)quinoline
CID 157032197
2,4-dimethoxy-5-[5-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]pyrimidine
CID 71460489

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxypyrimidin-5-yl)-[1,2,4]triazolo[1,5-b]pyridazine?
The IUPAC name of 2-(2,4-dimethoxypyrimidin-5-yl)-[1,2,4]triazolo[1,5-b]pyridazine (CID 167436310) is 2-(2,4-dimethoxypyrimidin-5-yl)-[1,2,4]triazolo[1,5-b]pyridazine.
What is the SMILES notation for 2-(2,4-dimethoxypyrimidin-5-yl)-[1,2,4]triazolo[1,5-b]pyridazine?
The canonical SMILES for 2-(2,4-dimethoxypyrimidin-5-yl)-[1,2,4]triazolo[1,5-b]pyridazine is COc1ncc(-c2nc3cccnn3n2)c(OC)n1.
What is the InChIKey of 2-(2,4-dimethoxypyrimidin-5-yl)-[1,2,4]triazolo[1,5-b]pyridazine?
The InChIKey is GHJCAGUCGYLOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O2/c1-18-10-7(6-12-11(15-10)19-2)9-14-8-4-3-5-13-17(8)16-9/h3-6H,1-2H3.
What are the key properties of 2-(2,4-dimethoxypyrimidin-5-yl)-[1,2,4]triazolo[1,5-b]pyridazine?
2-(2,4-dimethoxypyrimidin-5-yl)-[1,2,4]triazolo[1,5-b]pyridazine has a molecular weight of 258.24 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxypyrimidin-5-yl)-[1,2,4]triazolo[1,5-b]pyridazine is sourced from PubChem (CID 167436310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).