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

C19H26N6O — CID 29139269

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C19H26N6O/c26-19(20-11-8-15-4-2-1-3-5-15)16-9-12-24(13-10-16)18-7-6-17-22-21-14-25(17)23-18/h4,6-7,14,16H,1-3,5,8-13H2,(H,20,26)
InChIKeyVENVDIGUOVWMGS-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.35
Rot. Bonds5

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

N-[2-(cyclohexen-1-yl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 29139269) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID29139269
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C19H26N6O/c26-19(20-11-8-15-4-2-1-3-5-15)16-9-12-24(13-10-16)18-7-6-17-22-21-14-25(17)23-18/h4,6-7,14,16H,1-3,5,8-13H2,(H,20,26)
InChIKeyVENVDIGUOVWMGS-UHFFFAOYSA-N
XLogP2.35
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 29139269) is N-[2-(cyclohexen-1-yl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is O=C(NCCC1=CCCCC1)C1CCN(c2ccc3nncn3n2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is VENVDIGUOVWMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c26-19(20-11-8-15-4-2-1-3-5-15)16-9-12-24(13-10-16)18-7-6-17-22-21-14-25(17)23-18/h4,6-7,14,16H,1-3,5,8-13H2,(H,20,26).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 29139269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).