1-methyl-6-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine

C12H18N6 — CID 82384289

IUPAC1-methyl-6-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine
SMILESCc1nnc2ccc(C3CCC(N)CN3C)nn12
InChIInChI=1S/C12H18N6/c1-8-14-15-12-6-4-10(16-18(8)12)11-5-3-9(13)7-17(11)2/h4,6,9,11H,3,5,7,13H2,1-2H3
InChIKeyHODLOKKXUJVVJL-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.53
Rot. Bonds1

About 1-methyl-6-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine

1-methyl-6-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine (PubChem CID 82384289) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 1-methyl-6-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-methyl-6-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine
PubChem CID82384289
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name1-methyl-6-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine
SMILESCc1nnc2ccc(C3CCC(N)CN3C)nn12
InChIInChI=1S/C12H18N6/c1-8-14-15-12-6-4-10(16-18(8)12)11-5-3-9(13)7-17(11)2/h4,6,9,11H,3,5,7,13H2,1-2H3
InChIKeyHODLOKKXUJVVJL-UHFFFAOYSA-N
XLogP0.53
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine?
The IUPAC name of 1-methyl-6-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine (CID 82384289) is 1-methyl-6-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine.
What is the SMILES notation for 1-methyl-6-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine?
The canonical SMILES for 1-methyl-6-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine is Cc1nnc2ccc(C3CCC(N)CN3C)nn12.
What is the InChIKey of 1-methyl-6-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine?
The InChIKey is HODLOKKXUJVVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-8-14-15-12-6-4-10(16-18(8)12)11-5-3-9(13)7-17(11)2/h4,6,9,11H,3,5,7,13H2,1-2H3.
What are the key properties of 1-methyl-6-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine?
1-methyl-6-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine has a molecular weight of 246.32 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine is sourced from PubChem (CID 82384289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).