N-butyl-N-ethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

C16H25N7O — CID 78846036

IUPACN-butyl-N-ethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCCCCN(CC)C(=O)C1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C16H25N7O/c1-3-5-10-21(4-2)16(24)13-8-11-22(12-9-13)15-7-6-14-17-19-20-23(14)18-15/h6-7,13H,3-5,8-12H2,1-2H3
InChIKeyNAROLUKZBRSPSM-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.38
Rot. Bonds6

About N-butyl-N-ethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

N-butyl-N-ethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 78846036) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-butyl-N-ethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID78846036
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC NameN-butyl-N-ethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCCCCN(CC)C(=O)C1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C16H25N7O/c1-3-5-10-21(4-2)16(24)13-8-11-22(12-9-13)15-7-6-14-17-19-20-23(14)18-15/h6-7,13H,3-5,8-12H2,1-2H3
InChIKeyNAROLUKZBRSPSM-UHFFFAOYSA-N
XLogP1.38
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-N-ethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 78846036) is N-butyl-N-ethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is CCCCN(CC)C(=O)C1CCN(c2ccc3nnnn3n2)CC1.
What is the InChIKey of N-butyl-N-ethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is NAROLUKZBRSPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-3-5-10-21(4-2)16(24)13-8-11-22(12-9-13)15-7-6-14-17-19-20-23(14)18-15/h6-7,13H,3-5,8-12H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-butyl-N-ethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 78846036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).