2-[3-methyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]ethanol

C13H20N6O — CID 146081471

IUPAC2-[3-methyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]ethanol
SMILESCc1nc2ccc(N3CCN(CCO)CC3C)nn2n1
InChIInChI=1S/C13H20N6O/c1-10-9-17(7-8-20)5-6-18(10)13-4-3-12-14-11(2)15-19(12)16-13/h3-4,10,20H,5-9H2,1-2H3
InChIKeyHFFGVVCMDKVZDB-UHFFFAOYSA-N
MW276.34 g/mol
LogP-0.06
Rot. Bonds3

About 2-[3-methyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]ethanol

2-[3-methyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]ethanol (PubChem CID 146081471) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[3-methyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-methyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]ethanol
PubChem CID146081471
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name2-[3-methyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]ethanol
SMILESCc1nc2ccc(N3CCN(CCO)CC3C)nn2n1
InChIInChI=1S/C13H20N6O/c1-10-9-17(7-8-20)5-6-18(10)13-4-3-12-14-11(2)15-19(12)16-13/h3-4,10,20H,5-9H2,1-2H3
InChIKeyHFFGVVCMDKVZDB-UHFFFAOYSA-N
XLogP-0.06
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[3-methyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]ethanol (CID 146081471) is 2-[3-methyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[3-methyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[3-methyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]ethanol is Cc1nc2ccc(N3CCN(CCO)CC3C)nn2n1.
What is the InChIKey of 2-[3-methyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]ethanol?
The InChIKey is HFFGVVCMDKVZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-10-9-17(7-8-20)5-6-18(10)13-4-3-12-14-11(2)15-19(12)16-13/h3-4,10,20H,5-9H2,1-2H3.
What are the key properties of 2-[3-methyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]ethanol?
2-[3-methyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]ethanol has a molecular weight of 276.34 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 146081471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).