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

C16H19N7 — CID 133301058

IUPAC3-cyclopropyl-6-(4-imidazol-1-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cn(C2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)cn1
InChIInChI=1S/C16H19N7/c1-2-12(1)16-19-18-14-3-4-15(20-23(14)16)21-8-5-13(6-9-21)22-10-7-17-11-22/h3-4,7,10-13H,1-2,5-6,8-9H2
InChIKeyYDVWYTYBPPAZEI-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.04
Rot. Bonds3

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

3-cyclopropyl-6-(4-imidazol-1-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 133301058) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 3-cyclopropyl-6-(4-imidazol-1-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-cyclopropyl-6-(4-imidazol-1-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID133301058
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name3-cyclopropyl-6-(4-imidazol-1-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cn(C2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)cn1
InChIInChI=1S/C16H19N7/c1-2-12(1)16-19-18-14-3-4-15(20-23(14)16)21-8-5-13(6-9-21)22-10-7-17-11-22/h3-4,7,10-13H,1-2,5-6,8-9H2
InChIKeyYDVWYTYBPPAZEI-UHFFFAOYSA-N
XLogP2.04
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-cyclopropyl-6-(4-imidazol-1-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-cyclopentylpiperidin-4-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912364
2-(4-imidazol-1-ylpiperidin-1-yl)pyridine
CID 56788029
2-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]oxy-1,3-thiazole
CID 163348515
3-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912401
2-(4-imidazol-1-ylpiperidin-1-yl)pyrazine
CID 133301086
3-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 53016958
2-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,4-dihydro-1H-isoquinoline
CID 163344367
[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4-fluorophenyl)methanol
CID 133295323
2-methyl-6-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyridazin-3-one
CID 126912553
6-(azetidin-1-yl)-3-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912755
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-pyrrolidin-1-yl-3-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912397

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(4-imidazol-1-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-cyclopropyl-6-(4-imidazol-1-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 133301058) is 3-cyclopropyl-6-(4-imidazol-1-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-cyclopropyl-6-(4-imidazol-1-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-cyclopropyl-6-(4-imidazol-1-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is c1cn(C2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)cn1.
What is the InChIKey of 3-cyclopropyl-6-(4-imidazol-1-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is YDVWYTYBPPAZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-2-12(1)16-19-18-14-3-4-15(20-23(14)16)21-8-5-13(6-9-21)22-10-7-17-11-22/h3-4,7,10-13H,1-2,5-6,8-9H2.
What are the key properties of 3-cyclopropyl-6-(4-imidazol-1-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-cyclopropyl-6-(4-imidazol-1-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 309.38 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(4-imidazol-1-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 133301058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).