6-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C18H24N8 — CID 171996785

IUPAC6-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1nc(CN2CCN(c3ccc4nncn4n3)CC2)c2c1CCCC2
InChIInChI=1S/C18H24N8/c1-23-16-5-3-2-4-14(16)15(21-23)12-24-8-10-25(11-9-24)18-7-6-17-20-19-13-26(17)22-18/h6-7,13H,2-5,8-12H2,1H3
InChIKeyZFIIKVNXMUJRRS-UHFFFAOYSA-N
MW352.45 g/mol
LogP1.06
Rot. Bonds3

About 6-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 171996785) has the molecular formula C18H24N8 and a molecular weight of 352.45 g/mol. Its IUPAC name is 6-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID171996785
Molecular FormulaC18H24N8
Molecular Weight352.45 g/mol
Exact Mass352.21
IUPAC Name6-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1nc(CN2CCN(c3ccc4nncn4n3)CC2)c2c1CCCC2
InChIInChI=1S/C18H24N8/c1-23-16-5-3-2-4-14(16)15(21-23)12-24-8-10-25(11-9-24)18-7-6-17-20-19-13-26(17)22-18/h6-7,13H,2-5,8-12H2,1H3
InChIKeyZFIIKVNXMUJRRS-UHFFFAOYSA-N
XLogP1.06
TPSA67.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 171996785) is 6-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is Cn1nc(CN2CCN(c3ccc4nncn4n3)CC2)c2c1CCCC2.
What is the InChIKey of 6-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is ZFIIKVNXMUJRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8/c1-23-16-5-3-2-4-14(16)15(21-23)12-24-8-10-25(11-9-24)18-7-6-17-20-19-13-26(17)22-18/h6-7,13H,2-5,8-12H2,1H3.
What are the key properties of 6-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 352.45 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 171996785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).