6-(4-methylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

C13H20N6 — CID 53016942

IUPAC6-(4-methylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)c1nnc2ccc(N3CCN(C)CC3)nn12
InChIInChI=1S/C13H20N6/c1-10(2)13-15-14-11-4-5-12(16-19(11)13)18-8-6-17(3)7-9-18/h4-5,10H,6-9H2,1-3H3
InChIKeyAWWWSRLUTXUFNI-UHFFFAOYSA-N
MW260.35 g/mol
LogP1.00
Rot. Bonds2

About 6-(4-methylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

6-(4-methylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 53016942) has the molecular formula C13H20N6 and a molecular weight of 260.35 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID53016942
Molecular FormulaC13H20N6
Molecular Weight260.35 g/mol
Exact Mass260.17
IUPAC Name6-(4-methylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)c1nnc2ccc(N3CCN(C)CC3)nn12
InChIInChI=1S/C13H20N6/c1-10(2)13-15-14-11-4-5-12(16-19(11)13)18-8-6-17(3)7-9-18/h4-5,10H,6-9H2,1-3H3
InChIKeyAWWWSRLUTXUFNI-UHFFFAOYSA-N
XLogP1.00
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 53016942) is 6-(4-methylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is CC(C)c1nnc2ccc(N3CCN(C)CC3)nn12.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is AWWWSRLUTXUFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-10(2)13-15-14-11-4-5-12(16-19(11)13)18-8-6-17(3)7-9-18/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
6-(4-methylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 260.35 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 53016942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).