tert-butyl N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]carbamate

C13H19N5O2 — CID 19854428

IUPACtert-butyl N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1ccc2nccn2n1
InChIInChI=1S/C13H19N5O2/c1-13(2,3)20-12(19)16-7-6-14-10-4-5-11-15-8-9-18(11)17-10/h4-5,8-9H,6-7H2,1-3H3,(H,14,17)(H,16,19)
InChIKeyXFORSXFOVNLZTN-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.67
Rot. Bonds4

About tert-butyl N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]carbamate

tert-butyl N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]carbamate (PubChem CID 19854428) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is tert-butyl N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]carbamate
PubChem CID19854428
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Nametert-butyl N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1ccc2nccn2n1
InChIInChI=1S/C13H19N5O2/c1-13(2,3)20-12(19)16-7-6-14-10-4-5-11-15-8-9-18(11)17-10/h4-5,8-9H,6-7H2,1-3H3,(H,14,17)(H,16,19)
InChIKeyXFORSXFOVNLZTN-UHFFFAOYSA-N
XLogP1.67
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate
CID 47453715
tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate
CID 114518182
tert-butyl N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]carbamate
CID 115695358
tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate
CID 115657296
tert-butyl N-[2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]ethyl]carbamate
CID 115669050
tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate
CID 143029344
methyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 103879996
tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309
tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate
CID 115735888
tert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate
CID 137368600
tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)ethyl]carbamate
CID 114518201
tert-butyl N-[2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]carbamate
CID 102716232

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]carbamate (CID 19854428) is tert-butyl N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCCNc1ccc2nccn2n1.
What is the InChIKey of tert-butyl N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]carbamate?
The InChIKey is XFORSXFOVNLZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-13(2,3)20-12(19)16-7-6-14-10-4-5-11-15-8-9-18(11)17-10/h4-5,8-9H,6-7H2,1-3H3,(H,14,17)(H,16,19).
What are the key properties of tert-butyl N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]carbamate?
tert-butyl N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]carbamate has a molecular weight of 277.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]carbamate is sourced from PubChem (CID 19854428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).