6-methoxy-3-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine

C15H17N7O — CID 126911749

IUPAC6-methoxy-3-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc2nnc(C3CCN(c4ccncn4)CC3)n2n1
InChIInChI=1S/C15H17N7O/c1-23-14-3-2-13-18-19-15(22(13)20-14)11-5-8-21(9-6-11)12-4-7-16-10-17-12/h2-4,7,10-11H,5-6,8-9H2,1H3
InChIKeyBFYRSJLMDBXMRF-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.31
Rot. Bonds3

About 6-methoxy-3-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine

6-methoxy-3-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126911749) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 6-methoxy-3-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-methoxy-3-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID126911749
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name6-methoxy-3-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc2nnc(C3CCN(c4ccncn4)CC3)n2n1
InChIInChI=1S/C15H17N7O/c1-23-14-3-2-13-18-19-15(22(13)20-14)11-5-8-21(9-6-11)12-4-7-16-10-17-12/h2-4,7,10-11H,5-6,8-9H2,1H3
InChIKeyBFYRSJLMDBXMRF-UHFFFAOYSA-N
XLogP1.31
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-methoxy-3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911568
4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 126911757
6-methoxy-3-(1-pyrimidin-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911515
3-[1-(2-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911766
6-methoxy-3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911528
4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrido[3,4-d]pyrimidine
CID 126911822
6-methoxy-3-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911521
12-(1-pyrimidin-4-ylpiperidin-4-yl)-1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 126911401
1-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]isoquinoline
CID 126911559
2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-4,5-dimethyl-1,3-thiazole
CID 126911792
4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 126911734
6-methoxy-3-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911606

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-methoxy-3-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 126911749) is 6-methoxy-3-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-methoxy-3-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-methoxy-3-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccc2nnc(C3CCN(c4ccncn4)CC3)n2n1.
What is the InChIKey of 6-methoxy-3-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is BFYRSJLMDBXMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-23-14-3-2-13-18-19-15(22(13)20-14)11-5-8-21(9-6-11)12-4-7-16-10-17-12/h2-4,7,10-11H,5-6,8-9H2,1H3.
What are the key properties of 6-methoxy-3-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-methoxy-3-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 311.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126911749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).