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

C16H25N7O — CID 60520984

IUPAC2-[4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(Nc2ccc3nnc(C)n3n2)CC1
InChIInChI=1S/C16H25N7O/c1-3-8-17-16(24)11-22-9-6-13(7-10-22)18-14-4-5-15-20-19-12(2)23(15)21-14/h4-5,13H,3,6-11H2,1-2H3,(H,17,24)(H,18,21)
InChIKeyGCJXVARPBSEUKG-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.84
Rot. Bonds6

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

2-[4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-propylacetamide (PubChem CID 60520984) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-propylacetamide
PubChem CID60520984
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name2-[4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(Nc2ccc3nnc(C)n3n2)CC1
InChIInChI=1S/C16H25N7O/c1-3-8-17-16(24)11-22-9-6-13(7-10-22)18-14-4-5-15-20-19-12(2)23(15)21-14/h4-5,13H,3,6-11H2,1-2H3,(H,17,24)(H,18,21)
InChIKeyGCJXVARPBSEUKG-UHFFFAOYSA-N
XLogP0.84
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-propylacetamide (CID 60520984) is 2-[4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCC(Nc2ccc3nnc(C)n3n2)CC1.
What is the InChIKey of 2-[4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-propylacetamide?
The InChIKey is GCJXVARPBSEUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-3-8-17-16(24)11-22-9-6-13(7-10-22)18-14-4-5-15-20-19-12(2)23(15)21-14/h4-5,13H,3,6-11H2,1-2H3,(H,17,24)(H,18,21).
What are the key properties of 2-[4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-propylacetamide?
2-[4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-propylacetamide has a molecular weight of 331.42 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 60520984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).