2-propyl-4-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline

C21H23N7 — CID 133401378

IUPAC2-propyl-4-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline
SMILESCCCc1cc(N2CCN(c3ccc4nncn4n3)CC2)c2ccccc2n1
InChIInChI=1S/C21H23N7/c1-2-5-16-14-19(17-6-3-4-7-18(17)23-16)26-10-12-27(13-11-26)21-9-8-20-24-22-15-28(20)25-21/h3-4,6-9,14-15H,2,5,10-13H2,1H3
InChIKeyALEZMJROJWCPIU-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.95
Rot. Bonds4

About 2-propyl-4-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline

2-propyl-4-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline (PubChem CID 133401378) has the molecular formula C21H23N7 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-propyl-4-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline.

Molecular Properties

Compound Name2-propyl-4-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline
PubChem CID133401378
Molecular FormulaC21H23N7
Molecular Weight373.46 g/mol
Exact Mass373.20
IUPAC Name2-propyl-4-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline
SMILESCCCc1cc(N2CCN(c3ccc4nncn4n3)CC2)c2ccccc2n1
InChIInChI=1S/C21H23N7/c1-2-5-16-14-19(17-6-3-4-7-18(17)23-16)26-10-12-27(13-11-26)21-9-8-20-24-22-15-28(20)25-21/h3-4,6-9,14-15H,2,5,10-13H2,1H3
InChIKeyALEZMJROJWCPIU-UHFFFAOYSA-N
XLogP2.95
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline?
The IUPAC name of 2-propyl-4-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline (CID 133401378) is 2-propyl-4-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline.
What is the SMILES notation for 2-propyl-4-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline?
The canonical SMILES for 2-propyl-4-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline is CCCc1cc(N2CCN(c3ccc4nncn4n3)CC2)c2ccccc2n1.
What is the InChIKey of 2-propyl-4-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline?
The InChIKey is ALEZMJROJWCPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7/c1-2-5-16-14-19(17-6-3-4-7-18(17)23-16)26-10-12-27(13-11-26)21-9-8-20-24-22-15-28(20)25-21/h3-4,6-9,14-15H,2,5,10-13H2,1H3.
What are the key properties of 2-propyl-4-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline?
2-propyl-4-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline has a molecular weight of 373.46 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline is sourced from PubChem (CID 133401378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).