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

C13H19N5O2 — CID 143835042

IUPACtert-butyl N-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]carbamate
SMILESCCc1ccc2nnc(CNC(=O)OC(C)(C)C)n2n1
InChIInChI=1S/C13H19N5O2/c1-5-9-6-7-10-15-16-11(18(10)17-9)8-14-12(19)20-13(2,3)4/h6-7H,5,8H2,1-4H3,(H,14,19)
InChIKeyRQHGCHMDGGGUBG-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.71
Rot. Bonds3

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

tert-butyl N-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]carbamate (PubChem CID 143835042) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is tert-butyl N-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]carbamate
PubChem CID143835042
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Nametert-butyl N-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]carbamate
SMILESCCc1ccc2nnc(CNC(=O)OC(C)(C)C)n2n1
InChIInChI=1S/C13H19N5O2/c1-5-9-6-7-10-15-16-11(18(10)17-9)8-14-12(19)20-13(2,3)4/h6-7H,5,8H2,1-4H3,(H,14,19)
InChIKeyRQHGCHMDGGGUBG-UHFFFAOYSA-N
XLogP1.71
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate
CID 52903782
tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate
CID 143422700
tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate
CID 163355422
tert-butyl N-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]carbamate
CID 101236450
tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate
CID 45092164
tert-butyl N-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)carbamate
CID 119020406
tert-butyl N-[(6-formylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 155167684
tert-butyl N-[(3-tert-butylimidazol-4-yl)methyl]carbamate
CID 114703682
6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 58136866
tert-butyl N-[3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propyl]carbamate
CID 107094646
tert-butyl N-[[6-(tetrazol-2-yl)pyridazin-3-yl]methyl]carbamate
CID 140770591
tert-butyl N-[(3-butan-2-ylimidazol-4-yl)methyl]carbamate
CID 114703505

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]carbamate (CID 143835042) is tert-butyl N-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]carbamate is CCc1ccc2nnc(CNC(=O)OC(C)(C)C)n2n1.
What is the InChIKey of tert-butyl N-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]carbamate?
The InChIKey is RQHGCHMDGGGUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-5-9-6-7-10-15-16-11(18(10)17-9)8-14-12(19)20-13(2,3)4/h6-7H,5,8H2,1-4H3,(H,14,19).
What are the key properties of tert-butyl N-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]carbamate?
tert-butyl N-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]carbamate has a molecular weight of 277.33 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]carbamate is sourced from PubChem (CID 143835042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).