2-[4-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]acetamide

C12H17N7O2 — CID 66283796

IUPAC2-[4-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(Nc2ccc3n[nH]c(=O)n3n2)CC1
InChIInChI=1S/C12H17N7O2/c13-9(20)7-18-5-3-8(4-6-18)14-10-1-2-11-15-16-12(21)19(11)17-10/h1-2,8H,3-7H2,(H2,13,20)(H,14,17)(H,16,21)
InChIKeyLRDHLKBHKAGSFG-UHFFFAOYSA-N
MW291.31 g/mol
LogP-1.22
Rot. Bonds4

About 2-[4-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]acetamide

2-[4-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]acetamide (PubChem CID 66283796) has the molecular formula C12H17N7O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[4-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]acetamide
PubChem CID66283796
Molecular FormulaC12H17N7O2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name2-[4-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(Nc2ccc3n[nH]c(=O)n3n2)CC1
InChIInChI=1S/C12H17N7O2/c13-9(20)7-18-5-3-8(4-6-18)14-10-1-2-11-15-16-12(21)19(11)17-10/h1-2,8H,3-7H2,(H2,13,20)(H,14,17)(H,16,21)
InChIKeyLRDHLKBHKAGSFG-UHFFFAOYSA-N
XLogP-1.22
TPSA121.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]acetamide (CID 66283796) is 2-[4-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]acetamide is NC(=O)CN1CCC(Nc2ccc3n[nH]c(=O)n3n2)CC1.
What is the InChIKey of 2-[4-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]acetamide?
The InChIKey is LRDHLKBHKAGSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O2/c13-9(20)7-18-5-3-8(4-6-18)14-10-1-2-11-15-16-12(21)19(11)17-10/h1-2,8H,3-7H2,(H2,13,20)(H,14,17)(H,16,21).
What are the key properties of 2-[4-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]acetamide?
2-[4-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]acetamide has a molecular weight of 291.31 g/mol, XLogP of -1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 66283796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).