[5-(aminomethyl)-3-chloropyrazin-2-yl] azetidine-1-carboxylate

C9H11ClN4O2 — CID 177314415

IUPAC[5-(aminomethyl)-3-chloropyrazin-2-yl] azetidine-1-carboxylate
SMILESNCc1cnc(OC(=O)N2CCC2)c(Cl)n1
InChIInChI=1S/C9H11ClN4O2/c10-7-8(12-5-6(4-11)13-7)16-9(15)14-2-1-3-14/h5H,1-4,11H2
InChIKeyXRHZXRVOIZCJES-UHFFFAOYSA-N
MW242.67 g/mol
LogP0.79
Rot. Bonds2

About [5-(aminomethyl)-3-chloropyrazin-2-yl] azetidine-1-carboxylate

[5-(aminomethyl)-3-chloropyrazin-2-yl] azetidine-1-carboxylate (PubChem CID 177314415) has the molecular formula C9H11ClN4O2 and a molecular weight of 242.67 g/mol. Its IUPAC name is [5-(aminomethyl)-3-chloropyrazin-2-yl] azetidine-1-carboxylate.

Molecular Properties

Compound Name[5-(aminomethyl)-3-chloropyrazin-2-yl] azetidine-1-carboxylate
PubChem CID177314415
Molecular FormulaC9H11ClN4O2
Molecular Weight242.67 g/mol
Exact Mass242.06
IUPAC Name[5-(aminomethyl)-3-chloropyrazin-2-yl] azetidine-1-carboxylate
SMILESNCc1cnc(OC(=O)N2CCC2)c(Cl)n1
InChIInChI=1S/C9H11ClN4O2/c10-7-8(12-5-6(4-11)13-7)16-9(15)14-2-1-3-14/h5H,1-4,11H2
InChIKeyXRHZXRVOIZCJES-UHFFFAOYSA-N
XLogP0.79
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chloro-3-pyridinyl) azetidine-1-carboxylate
CID 169229257
pyrazin-2-yl pyrrolidine-1-carboxylate
CID 154365192
(4-chloroisoquinolin-3-yl) 3,5-dimethylpiperidine-1-carboxylate
CID 59825557
(4-fluoro-1H-pyrrolo[2,3-c]pyridin-5-yl) piperidine-1-carboxylate
CID 175772814
phenyl 4-(2-aminoethyl)-1,4-diazepane-1-carboxylate
CID 43252389
2-methylpropyl 4-(2-chloro-4-pyridinyl)-1,4-diazepane-1-carboxylate
CID 133447766
2-methylpropyl 4-(3-chloro-4-pyridinyl)-1,4-diazepane-1-carboxylate
CID 133447737
(6-tert-butyl-3-pyridinyl) azetidine-1-carboxylate
CID 175498808
ethyl azetidine-1-carboxylate
CID 14088501
azetidin-1-yl-(2-chloropyrimidin-5-yl)methanone
CID 130550489
Potassium (+/-)-(3-chloro-2-pyridinyl)(4-methyl-1-piperazinyl)carboxylate
CID 86647522
pyridazin-4-yl piperidine-1-carboxylate
CID 175189691

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-3-chloropyrazin-2-yl] azetidine-1-carboxylate?
The IUPAC name of [5-(aminomethyl)-3-chloropyrazin-2-yl] azetidine-1-carboxylate (CID 177314415) is [5-(aminomethyl)-3-chloropyrazin-2-yl] azetidine-1-carboxylate.
What is the SMILES notation for [5-(aminomethyl)-3-chloropyrazin-2-yl] azetidine-1-carboxylate?
The canonical SMILES for [5-(aminomethyl)-3-chloropyrazin-2-yl] azetidine-1-carboxylate is NCc1cnc(OC(=O)N2CCC2)c(Cl)n1.
What is the InChIKey of [5-(aminomethyl)-3-chloropyrazin-2-yl] azetidine-1-carboxylate?
The InChIKey is XRHZXRVOIZCJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2/c10-7-8(12-5-6(4-11)13-7)16-9(15)14-2-1-3-14/h5H,1-4,11H2.
What are the key properties of [5-(aminomethyl)-3-chloropyrazin-2-yl] azetidine-1-carboxylate?
[5-(aminomethyl)-3-chloropyrazin-2-yl] azetidine-1-carboxylate has a molecular weight of 242.67 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-3-chloropyrazin-2-yl] azetidine-1-carboxylate is sourced from PubChem (CID 177314415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).