tert-butyl 4-(7-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate

C16H23N5O2 — CID 162360922

IUPACtert-butyl 4-(7-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate
SMILESCc1cc2nccn2nc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H23N5O2/c1-12-11-13-17-5-6-21(13)18-14(12)19-7-9-20(10-8-19)15(22)23-16(2,3)4/h5-6,11H,7-10H2,1-4H3
InChIKeyRNMUWFFGWVASEV-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.09
Rot. Bonds1

About tert-butyl 4-(7-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate

tert-butyl 4-(7-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate (PubChem CID 162360922) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is tert-butyl 4-(7-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(7-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate
PubChem CID162360922
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Nametert-butyl 4-(7-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate
SMILESCc1cc2nccn2nc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H23N5O2/c1-12-11-13-17-5-6-21(13)18-14(12)19-7-9-20(10-8-19)15(22)23-16(2,3)4/h5-6,11H,7-10H2,1-4H3
InChIKeyRNMUWFFGWVASEV-UHFFFAOYSA-N
XLogP2.09
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 46739269
tert-butyl 4-(3-bromo-4-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 176508616
tert-butyl 4-(3-methylimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylate
CID 10313750
tert-butyl 4-(6-methylimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylate
CID 10425966
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 169205005
tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate
CID 70571171
tert-butyl 4-(3-chloro-6,7-dimethylquinoxalin-2-yl)piperazine-1-carboxylate
CID 166485451
bis(tert-butyl pyrrolidine-1-carboxylate);7-(4-imidazo[1,2-a]pyridin-7-ylphenyl)imidazo[1,2-a]pyridine
CID 162029209
tert-butyl 4-(5-iodo-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
CID 156898021
tert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane
CID 143735501
tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate
CID 70570904
tert-butyl 4-(5-methoxypyrimidin-4-yl)piperazine-1-carboxylate
CID 156898070

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(7-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(7-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate (CID 162360922) is tert-butyl 4-(7-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(7-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(7-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate is Cc1cc2nccn2nc1N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(7-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate?
The InChIKey is RNMUWFFGWVASEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-12-11-13-17-5-6-21(13)18-14(12)19-7-9-20(10-8-19)15(22)23-16(2,3)4/h5-6,11H,7-10H2,1-4H3.
What are the key properties of tert-butyl 4-(7-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate?
tert-butyl 4-(7-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(7-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate is sourced from PubChem (CID 162360922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).