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

C13H18N6O — CID 134800826

IUPACN-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2ccc3nnc(C)n3n2)C1
InChIInChI=1S/C13H18N6O/c1-9-15-16-12-5-6-13(17-19(9)12)18-7-3-4-11(8-18)14-10(2)20/h5-6,11H,3-4,7-8H2,1-2H3,(H,14,20)
InChIKeyCRRLGLSEOMGOMX-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.54
Rot. Bonds2

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

N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]acetamide (PubChem CID 134800826) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]acetamide
PubChem CID134800826
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2ccc3nnc(C)n3n2)C1
InChIInChI=1S/C13H18N6O/c1-9-15-16-12-5-6-13(17-19(9)12)18-7-3-4-11(8-18)14-10(2)20/h5-6,11H,3-4,7-8H2,1-2H3,(H,14,20)
InChIKeyCRRLGLSEOMGOMX-UHFFFAOYSA-N
XLogP0.54
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]acetamide (CID 134800826) is N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]acetamide is CC(=O)NC1CCCN(c2ccc3nnc(C)n3n2)C1.
What is the InChIKey of N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]acetamide?
The InChIKey is CRRLGLSEOMGOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-9-15-16-12-5-6-13(17-19(9)12)18-7-3-4-11(8-18)14-10(2)20/h5-6,11H,3-4,7-8H2,1-2H3,(H,14,20).
What are the key properties of N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]acetamide?
N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]acetamide has a molecular weight of 274.33 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 134800826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).