7-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C17H19N9 — CID 155975195

IUPAC7-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(N2CCN(c3ccc4nccn4n3)CC2)c1C
InChIInChI=1S/C17H19N9/c1-12-13(2)21-17-19-11-20-26(17)16(12)24-9-7-23(8-10-24)15-4-3-14-18-5-6-25(14)22-15/h3-6,11H,7-10H2,1-2H3
InChIKeyPPYGEJHUHONXKV-UHFFFAOYSA-N
MW349.40 g/mol
LogP1.11
Rot. Bonds2

About 7-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 155975195) has the molecular formula C17H19N9 and a molecular weight of 349.40 g/mol. Its IUPAC name is 7-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID155975195
Molecular FormulaC17H19N9
Molecular Weight349.40 g/mol
Exact Mass349.18
IUPAC Name7-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(N2CCN(c3ccc4nccn4n3)CC2)c1C
InChIInChI=1S/C17H19N9/c1-12-13(2)21-17-19-11-20-26(17)16(12)24-9-7-23(8-10-24)15-4-3-14-18-5-6-25(14)22-15/h3-6,11H,7-10H2,1-2H3
InChIKeyPPYGEJHUHONXKV-UHFFFAOYSA-N
XLogP1.11
TPSA79.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 155975195) is 7-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2ncnn2c(N2CCN(c3ccc4nccn4n3)CC2)c1C.
What is the InChIKey of 7-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is PPYGEJHUHONXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N9/c1-12-13(2)21-17-19-11-20-26(17)16(12)24-9-7-23(8-10-24)15-4-3-14-18-5-6-25(14)22-15/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 7-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 349.40 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 155975195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).