6-methyl-3-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine

C17H18N8 — CID 126910135

IUPAC6-methyl-3-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccc2nnc(C3CCN(c4nccn5nccc45)CC3)n2n1
InChIInChI=1S/C17H18N8/c1-12-2-3-15-20-21-16(25(15)22-12)13-5-9-23(10-6-13)17-14-4-7-19-24(14)11-8-18-17/h2-4,7-8,11,13H,5-6,9-10H2,1H3
InChIKeyORVJYODECQIUIN-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.86
Rot. Bonds2

About 6-methyl-3-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine

6-methyl-3-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126910135) has the molecular formula C17H18N8 and a molecular weight of 334.39 g/mol. Its IUPAC name is 6-methyl-3-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-methyl-3-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID126910135
Molecular FormulaC17H18N8
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name6-methyl-3-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccc2nnc(C3CCN(c4nccn5nccc45)CC3)n2n1
InChIInChI=1S/C17H18N8/c1-12-2-3-15-20-21-16(25(15)22-12)13-5-9-23(10-6-13)17-14-4-7-19-24(14)11-8-18-17/h2-4,7-8,11,13H,5-6,9-10H2,1H3
InChIKeyORVJYODECQIUIN-UHFFFAOYSA-N
XLogP1.86
TPSA76.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-methyl-3-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

1-cyclopropyl-3-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one
CID 126910396
6-cyclopropyl-3-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910994
4-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 126910333
1-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-2-one
CID 126910208
1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)ethanone
CID 104730056
4-methyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole
CID 126910391
1-methyl-3-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one
CID 126912387
6-methoxy-3-(1-pyrimidin-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911515
5-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 126910270
4-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)thiomorpholine
CID 171328024
[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 126910021
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-methyl-3-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-methyl-3-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 126910135) is 6-methyl-3-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-methyl-3-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-methyl-3-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine is Cc1ccc2nnc(C3CCN(c4nccn5nccc45)CC3)n2n1.
What is the InChIKey of 6-methyl-3-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is ORVJYODECQIUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8/c1-12-2-3-15-20-21-16(25(15)22-12)13-5-9-23(10-6-13)17-14-4-7-19-24(14)11-8-18-17/h2-4,7-8,11,13H,5-6,9-10H2,1H3.
What are the key properties of 6-methyl-3-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-methyl-3-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 334.39 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126910135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).