tert-butyl 2-[2-(6-aminopyridazin-3-yl)ethyl]-5-ethylpyrrolidine-1-carboxylate

C17H28N4O2 — CID 167157915

IUPACtert-butyl 2-[2-(6-aminopyridazin-3-yl)ethyl]-5-ethylpyrrolidine-1-carboxylate
SMILESCCC1CCC(CCc2ccc(N)nn2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H28N4O2/c1-5-13-9-10-14(21(13)16(22)23-17(2,3)4)8-6-12-7-11-15(18)20-19-12/h7,11,13-14H,5-6,8-10H2,1-4H3,(H2,18,20)
InChIKeyHNRVBNPNJUDOKA-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.17
Rot. Bonds4

About tert-butyl 2-[2-(6-aminopyridazin-3-yl)ethyl]-5-ethylpyrrolidine-1-carboxylate

tert-butyl 2-[2-(6-aminopyridazin-3-yl)ethyl]-5-ethylpyrrolidine-1-carboxylate (PubChem CID 167157915) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is tert-butyl 2-[2-(6-aminopyridazin-3-yl)ethyl]-5-ethylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(6-aminopyridazin-3-yl)ethyl]-5-ethylpyrrolidine-1-carboxylate
PubChem CID167157915
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Nametert-butyl 2-[2-(6-aminopyridazin-3-yl)ethyl]-5-ethylpyrrolidine-1-carboxylate
SMILESCCC1CCC(CCc2ccc(N)nn2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H28N4O2/c1-5-13-9-10-14(21(13)16(22)23-17(2,3)4)8-6-12-7-11-15(18)20-19-12/h7,11,13-14H,5-6,8-10H2,1-4H3,(H2,18,20)
InChIKeyHNRVBNPNJUDOKA-UHFFFAOYSA-N
XLogP3.17
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2R,5R)-2-ethyl-5-heptylpyrrolidine-1-carboxylate
CID 10902578
tert-butyl (2R,6S)-4-(6-aminopyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxylate
CID 168895164
tert-butyl (2R,5R)-2-(hydroxymethyl)-5-propylpyrrolidine-1-carboxylate
CID 155694850
(2S,5S)-5-hexyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 135016217
tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate
CID 163947882
ditert-butyl (2S,5S)-5-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate
CID 91484630
tert-butyl 3-(6-aminopyridazin-3-yl)piperidine-1-carboxylate
CID 172992144
tert-butyl (3aS,8aR)-2-ethyl-6-oxo-2,3,3a,4,5,7,8,8a-octahydrocyclohepta[b]pyrrole-1-carboxylate
CID 59465444
tert-butyl 3-[2-(6-amino-5-methoxy-2-pyridinyl)ethyl]pyrrolidine-1-carboxylate
CID 171807719
tert-butyl (1R,5S)-3-[(6-chloropyridazin-3-yl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 158280915
tert-butyl (2R,5S)-2,5-diethyl-3-hydroxypyrrolidine-1-carboxylate
CID 131734811
tert-butyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-ethylpyrrolidine-1-carboxylate
CID 67992942

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(6-aminopyridazin-3-yl)ethyl]-5-ethylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(6-aminopyridazin-3-yl)ethyl]-5-ethylpyrrolidine-1-carboxylate (CID 167157915) is tert-butyl 2-[2-(6-aminopyridazin-3-yl)ethyl]-5-ethylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(6-aminopyridazin-3-yl)ethyl]-5-ethylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(6-aminopyridazin-3-yl)ethyl]-5-ethylpyrrolidine-1-carboxylate is CCC1CCC(CCc2ccc(N)nn2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-(6-aminopyridazin-3-yl)ethyl]-5-ethylpyrrolidine-1-carboxylate?
The InChIKey is HNRVBNPNJUDOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-5-13-9-10-14(21(13)16(22)23-17(2,3)4)8-6-12-7-11-15(18)20-19-12/h7,11,13-14H,5-6,8-10H2,1-4H3,(H2,18,20).
What are the key properties of tert-butyl 2-[2-(6-aminopyridazin-3-yl)ethyl]-5-ethylpyrrolidine-1-carboxylate?
tert-butyl 2-[2-(6-aminopyridazin-3-yl)ethyl]-5-ethylpyrrolidine-1-carboxylate has a molecular weight of 320.44 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(6-aminopyridazin-3-yl)ethyl]-5-ethylpyrrolidine-1-carboxylate is sourced from PubChem (CID 167157915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).