tert-butyl 7-(3-amino-6-chloropyridazin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate

C16H24ClN5O2 — CID 168901631

IUPACtert-butyl 7-(3-amino-6-chloropyridazin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCN(c3cc(Cl)nnc3N)CC2)C1
InChIInChI=1S/C16H24ClN5O2/c1-15(2,3)24-14(23)22-9-16(10-22)4-6-21(7-5-16)11-8-12(17)19-20-13(11)18/h8H,4-7,9-10H2,1-3H3,(H2,18,20)
InChIKeyILXTYZCSARVVQQ-UHFFFAOYSA-N
MW353.85 g/mol
LogP2.55
Rot. Bonds1

About tert-butyl 7-(3-amino-6-chloropyridazin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate

tert-butyl 7-(3-amino-6-chloropyridazin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate (PubChem CID 168901631) has the molecular formula C16H24ClN5O2 and a molecular weight of 353.85 g/mol. Its IUPAC name is tert-butyl 7-(3-amino-6-chloropyridazin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(3-amino-6-chloropyridazin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
PubChem CID168901631
Molecular FormulaC16H24ClN5O2
Molecular Weight353.85 g/mol
Exact Mass353.16
IUPAC Nametert-butyl 7-(3-amino-6-chloropyridazin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCN(c3cc(Cl)nnc3N)CC2)C1
InChIInChI=1S/C16H24ClN5O2/c1-15(2,3)24-14(23)22-9-16(10-22)4-6-21(7-5-16)11-8-12(17)19-20-13(11)18/h8H,4-7,9-10H2,1-3H3,(H2,18,20)
InChIKeyILXTYZCSARVVQQ-UHFFFAOYSA-N
XLogP2.55
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 7-(3-amino-6-chloropyridazin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate with MolForge

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Related Compounds

tert-butyl 8-(3-amino-6-chloropyridazin-4-yl)-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate
CID 168901287
tert-butyl 7-(2-aminophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 89272008
tert-butyl 4-[1-(3-amino-6-chloropyridazin-4-yl)pyrazol-4-yl]piperazine-1-carboxylate
CID 170625882
tert-butyl 7-(4-chloro-2-methylsulfonylphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 169105284
tert-butyl 7-(6-chloropyrido[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 171852835
[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxycyclobutyl] 4-(3-amino-6-chloropyridazin-4-yl)piperazine-1-carboxylate
CID 168903628
tert-butyl 6-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 170350147
tert-butyl 7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 150763312
tert-butyl 7-(3-chloro-2-isocyano-5-methoxyphenyl)-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 162493560
tert-butyl 2-(4-chloro-2-fluorophenyl)-2,7-diazaspiro[3.4]octane-7-carboxylate
CID 164573214
tert-butyl 4-(3-chloro-7H-pyrrolo[2,3-c]pyridazin-6-yl)piperazine-1-carboxylate
CID 167081155
tert-butyl 8-(6-amino-3-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 170040628

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(3-amino-6-chloropyridazin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of tert-butyl 7-(3-amino-6-chloropyridazin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate (CID 168901631) is tert-butyl 7-(3-amino-6-chloropyridazin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 7-(3-amino-6-chloropyridazin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 7-(3-amino-6-chloropyridazin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CCN(c3cc(Cl)nnc3N)CC2)C1.
What is the InChIKey of tert-butyl 7-(3-amino-6-chloropyridazin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate?
The InChIKey is ILXTYZCSARVVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN5O2/c1-15(2,3)24-14(23)22-9-16(10-22)4-6-21(7-5-16)11-8-12(17)19-20-13(11)18/h8H,4-7,9-10H2,1-3H3,(H2,18,20).
What are the key properties of tert-butyl 7-(3-amino-6-chloropyridazin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate?
tert-butyl 7-(3-amino-6-chloropyridazin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate has a molecular weight of 353.85 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(3-amino-6-chloropyridazin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 168901631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).