N-propyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide

C14H20N6O — CID 46326813

IUPACN-propyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2ccc3nncn3n2)C1
InChIInChI=1S/C14H20N6O/c1-2-7-15-14(21)11-4-3-8-19(9-11)13-6-5-12-17-16-10-20(12)18-13/h5-6,10-11H,2-4,7-9H2,1H3,(H,15,21)
InChIKeyFUGYOGNEDRSFCT-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.87
Rot. Bonds4

About N-propyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide

N-propyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide (PubChem CID 46326813) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is N-propyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-propyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
PubChem CID46326813
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC NameN-propyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2ccc3nncn3n2)C1
InChIInChI=1S/C14H20N6O/c1-2-7-15-14(21)11-4-3-8-19(9-11)13-6-5-12-17-16-10-20(12)18-13/h5-6,10-11H,2-4,7-9H2,1H3,(H,15,21)
InChIKeyFUGYOGNEDRSFCT-UHFFFAOYSA-N
XLogP0.87
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide?
The IUPAC name of N-propyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide (CID 46326813) is N-propyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-propyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide?
The canonical SMILES for N-propyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide is CCCNC(=O)C1CCCN(c2ccc3nncn3n2)C1.
What is the InChIKey of N-propyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide?
The InChIKey is FUGYOGNEDRSFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-2-7-15-14(21)11-4-3-8-19(9-11)13-6-5-12-17-16-10-20(12)18-13/h5-6,10-11H,2-4,7-9H2,1H3,(H,15,21).
What are the key properties of N-propyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide?
N-propyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide is sourced from PubChem (CID 46326813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).