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

C16H19N7O — CID 126911568

IUPAC6-methoxy-3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc2nnc(C3CCN(c4cc(C)ncn4)CC3)n2n1
InChIInChI=1S/C16H19N7O/c1-11-9-14(18-10-17-11)22-7-5-12(6-8-22)16-20-19-13-3-4-15(24-2)21-23(13)16/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeySMRWNEPMZZFTJK-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.62
Rot. Bonds3

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

6-methoxy-3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126911568) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 6-methoxy-3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-methoxy-3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID126911568
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name6-methoxy-3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc2nnc(C3CCN(c4cc(C)ncn4)CC3)n2n1
InChIInChI=1S/C16H19N7O/c1-11-9-14(18-10-17-11)22-7-5-12(6-8-22)16-20-19-13-3-4-15(24-2)21-23(13)16/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeySMRWNEPMZZFTJK-UHFFFAOYSA-N
XLogP1.62
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-methoxy-3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911528
6-methoxy-3-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911749
6-methoxy-3-(1-pyrimidin-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911515
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
4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 126911757
3-[1-(2-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911766
4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylquinoline
CID 126911736
4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrido[3,4-d]pyrimidine
CID 126911822
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
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
CID 166605359
1-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]isoquinoline
CID 126911559

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-methoxy-3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 126911568) is 6-methoxy-3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-methoxy-3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-methoxy-3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccc2nnc(C3CCN(c4cc(C)ncn4)CC3)n2n1.
What is the InChIKey of 6-methoxy-3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is SMRWNEPMZZFTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-11-9-14(18-10-17-11)22-7-5-12(6-8-22)16-20-19-13-3-4-15(24-2)21-23(13)16/h3-4,9-10,12H,5-8H2,1-2H3.
What are the key properties of 6-methoxy-3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-methoxy-3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 325.38 g/mol, XLogP of 1.62, 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-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126911568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).