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

C12H15ClN4O2 — CID 101236450

IUPACtert-butyl N-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cnc2ccc(Cl)nn12
InChIInChI=1S/C12H15ClN4O2/c1-12(2,3)19-11(18)15-7-8-6-14-10-5-4-9(13)16-17(8)10/h4-6H,7H2,1-3H3,(H,15,18)
InChIKeyPJECJUJHVHGHKZ-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.41
Rot. Bonds2

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

tert-butyl N-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]carbamate (PubChem CID 101236450) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is tert-butyl N-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]carbamate
PubChem CID101236450
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Nametert-butyl N-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cnc2ccc(Cl)nn12
InChIInChI=1S/C12H15ClN4O2/c1-12(2,3)19-11(18)15-7-8-6-14-10-5-4-9(13)16-17(8)10/h4-6H,7H2,1-3H3,(H,15,18)
InChIKeyPJECJUJHVHGHKZ-UHFFFAOYSA-N
XLogP2.41
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate
CID 170809816
tert-butyl N-[(3-tert-butylimidazol-4-yl)methyl]carbamate
CID 114703682
(6-chloroimidazo[1,2-b]pyridazin-3-yl)methanamine
CID 11480847
tert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate
CID 170897744
tert-butyl N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate
CID 112639562
tert-butyl N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]carbamate
CID 139498962
tert-butyl N-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamate
CID 20610080
tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate
CID 163355422
N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enyl]acetamide
CID 169465667
tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate
CID 77231610
tert-butyl N-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]carbamate
CID 143835042
tert-butyl N-[[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methyl]carbamate
CID 114703197

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]carbamate (CID 101236450) is tert-butyl N-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1cnc2ccc(Cl)nn12.
What is the InChIKey of tert-butyl N-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]carbamate?
The InChIKey is PJECJUJHVHGHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-12(2,3)19-11(18)15-7-8-6-14-10-5-4-9(13)16-17(8)10/h4-6H,7H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl N-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]carbamate?
tert-butyl N-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]carbamate has a molecular weight of 282.73 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]carbamate is sourced from PubChem (CID 101236450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).