tert-butyl 2-(3-chloropyrazin-2-yl)azetidine-1-carboxylate

C12H16ClN3O2 — CID 174701706

IUPACtert-butyl 2-(3-chloropyrazin-2-yl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC1c1nccnc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-12(2,3)18-11(17)16-7-4-8(16)9-10(13)15-6-5-14-9/h5-6,8H,4,7H2,1-3H3
InChIKeyNYIAYZWWEXKJPD-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.81
Rot. Bonds1

About tert-butyl 2-(3-chloropyrazin-2-yl)azetidine-1-carboxylate

tert-butyl 2-(3-chloropyrazin-2-yl)azetidine-1-carboxylate (PubChem CID 174701706) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is tert-butyl 2-(3-chloropyrazin-2-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-chloropyrazin-2-yl)azetidine-1-carboxylate
PubChem CID174701706
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Nametert-butyl 2-(3-chloropyrazin-2-yl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC1c1nccnc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-12(2,3)18-11(17)16-7-4-8(16)9-10(13)15-6-5-14-9/h5-6,8H,4,7H2,1-3H3
InChIKeyNYIAYZWWEXKJPD-UHFFFAOYSA-N
XLogP2.81
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-(3-chloropyrazin-2-yl)pyrrolidine-1-carboxylate
CID 124997181
tert-butyl 2-pyrimidin-2-ylazetidine-1-carboxylate
CID 162700486
tert-butyl 2-(2,6-dichloro-4-pyridinyl)azetidine-1-carboxylate
CID 170323359
tert-butyl (2S)-2-(7-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)pyrrolidine-1-carboxylate
CID 58425768
tert-butyl 2-(5-bromo-1,3-thiazol-2-yl)azetidine-1-carboxylate
CID 175877765
tert-butyl 2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidine-1-carboxylate
CID 121248826
tert-butyl (2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate
CID 86664582
tert-butyl 2-(1,3-thiazol-5-yl)azetidine-1-carboxylate
CID 174554546
tert-butyl 2-[(3-chloropyrazin-2-yl)methoxymethyl]piperidine-1-carboxylate
CID 71631813
tert-butyl (2R)-2-[(3-chloropyrazin-2-yl)methoxymethyl]piperidine-1-carboxylate
CID 97173673
tert-butyl (3R)-3-(3-chloropyrazin-2-yl)oxypyrrolidine-1-carboxylate
CID 58548011
tert-butyl 3-(3-chloropyrazin-2-yl)oxypyrrolidine-1-carboxylate
CID 76819357

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-chloropyrazin-2-yl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(3-chloropyrazin-2-yl)azetidine-1-carboxylate (CID 174701706) is tert-butyl 2-(3-chloropyrazin-2-yl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-chloropyrazin-2-yl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(3-chloropyrazin-2-yl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC1c1nccnc1Cl.
What is the InChIKey of tert-butyl 2-(3-chloropyrazin-2-yl)azetidine-1-carboxylate?
The InChIKey is NYIAYZWWEXKJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-12(2,3)18-11(17)16-7-4-8(16)9-10(13)15-6-5-14-9/h5-6,8H,4,7H2,1-3H3.
What are the key properties of tert-butyl 2-(3-chloropyrazin-2-yl)azetidine-1-carboxylate?
tert-butyl 2-(3-chloropyrazin-2-yl)azetidine-1-carboxylate has a molecular weight of 269.73 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-chloropyrazin-2-yl)azetidine-1-carboxylate is sourced from PubChem (CID 174701706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).