ethyl N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]carbamate

C17H26N6O2 — CID 133489872

IUPACethyl N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(c2ccc3nnc(C(C)(C)C)n3n2)C1
InChIInChI=1S/C17H26N6O2/c1-5-25-16(24)18-12-7-6-10-22(11-12)14-9-8-13-19-20-15(17(2,3)4)23(13)21-14/h8-9,12H,5-7,10-11H2,1-4H3,(H,18,24)
InChIKeyVYCGHZONRTXVNU-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.14
Rot. Bonds3

About ethyl N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]carbamate

ethyl N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]carbamate (PubChem CID 133489872) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is ethyl N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]carbamate
PubChem CID133489872
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Nameethyl N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(c2ccc3nnc(C(C)(C)C)n3n2)C1
InChIInChI=1S/C17H26N6O2/c1-5-25-16(24)18-12-7-6-10-22(11-12)14-9-8-13-19-20-15(17(2,3)4)23(13)21-14/h8-9,12H,5-7,10-11H2,1-4H3,(H,18,24)
InChIKeyVYCGHZONRTXVNU-UHFFFAOYSA-N
XLogP2.14
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]carbamate with MolForge

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Related Compounds

1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-phenylpiperidine-3-carboxamide
CID 133488886
3-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-1,1-dimethylurea
CID 154736318
tert-butyl N-[1-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-yl]carbamate
CID 133293196
N-cycloheptyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-3-carboxamide
CID 42654035
2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide
CID 134802200
2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N-methylacetamide
CID 133492226
2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 133489859
(3R)-N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39310132
N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 42653402
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-2-methylbenzamide
CID 134801628
tert-butyl N-[1-(4-amino-2-pyridinyl)piperidin-3-yl]carbamate
CID 91811841
N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 127447427

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]carbamate (CID 133489872) is ethyl N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(c2ccc3nnc(C(C)(C)C)n3n2)C1.
What is the InChIKey of ethyl N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]carbamate?
The InChIKey is VYCGHZONRTXVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-5-25-16(24)18-12-7-6-10-22(11-12)14-9-8-13-19-20-15(17(2,3)4)23(13)21-14/h8-9,12H,5-7,10-11H2,1-4H3,(H,18,24).
What are the key properties of ethyl N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]carbamate?
ethyl N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]carbamate has a molecular weight of 346.44 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]carbamate is sourced from PubChem (CID 133489872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).