ethyl 2-(6-chloropyrazolo[3,4-b]pyrazin-1-yl)acetate

C9H9ClN4O2 — CID 167253717

IUPACethyl 2-(6-chloropyrazolo[3,4-b]pyrazin-1-yl)acetate
SMILESCCOC(=O)Cn1ncc2ncc(Cl)nc21
InChIInChI=1S/C9H9ClN4O2/c1-2-16-8(15)5-14-9-6(3-12-14)11-4-7(10)13-9/h3-4H,2,5H2,1H3
InChIKeyYWPVXIIFLZYFQR-UHFFFAOYSA-N
MW240.65 g/mol
LogP1.04
Rot. Bonds3

About ethyl 2-(6-chloropyrazolo[3,4-b]pyrazin-1-yl)acetate

ethyl 2-(6-chloropyrazolo[3,4-b]pyrazin-1-yl)acetate (PubChem CID 167253717) has the molecular formula C9H9ClN4O2 and a molecular weight of 240.65 g/mol. Its IUPAC name is ethyl 2-(6-chloropyrazolo[3,4-b]pyrazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-chloropyrazolo[3,4-b]pyrazin-1-yl)acetate
PubChem CID167253717
Molecular FormulaC9H9ClN4O2
Molecular Weight240.65 g/mol
Exact Mass240.04
IUPAC Nameethyl 2-(6-chloropyrazolo[3,4-b]pyrazin-1-yl)acetate
SMILESCCOC(=O)Cn1ncc2ncc(Cl)nc21
InChIInChI=1S/C9H9ClN4O2/c1-2-16-8(15)5-14-9-6(3-12-14)11-4-7(10)13-9/h3-4H,2,5H2,1H3
InChIKeyYWPVXIIFLZYFQR-UHFFFAOYSA-N
XLogP1.04
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate
CID 59813966
ethyl 2-[5-(chloromethyl)-1,2,4-triazol-1-yl]acetate
CID 107447307
ethyl 2-(7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl)acetate
CID 136597750
ethyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 77231410
ethyl 2-(5-amino-1,2,4-triazol-1-yl)acetate
CID 63277510
2-[(6-chloropyrazolo[3,4-b]pyrazin-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane;ethane
CID 177223130
ethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate
CID 155389923
ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate
CID 19808448
ethyl 2-(4-chloro-6-oxo-5-phenylpyridazin-1-yl)acetate
CID 162727287
ethyl 2-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)acetate
CID 86719804
ethyl 2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetate
CID 70943290
6-chloro-1-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]pyrazolo[3,4-b]pyrazine
CID 168752046

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-chloropyrazolo[3,4-b]pyrazin-1-yl)acetate?
The IUPAC name of ethyl 2-(6-chloropyrazolo[3,4-b]pyrazin-1-yl)acetate (CID 167253717) is ethyl 2-(6-chloropyrazolo[3,4-b]pyrazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(6-chloropyrazolo[3,4-b]pyrazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(6-chloropyrazolo[3,4-b]pyrazin-1-yl)acetate is CCOC(=O)Cn1ncc2ncc(Cl)nc21.
What is the InChIKey of ethyl 2-(6-chloropyrazolo[3,4-b]pyrazin-1-yl)acetate?
The InChIKey is YWPVXIIFLZYFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2/c1-2-16-8(15)5-14-9-6(3-12-14)11-4-7(10)13-9/h3-4H,2,5H2,1H3.
What are the key properties of ethyl 2-(6-chloropyrazolo[3,4-b]pyrazin-1-yl)acetate?
ethyl 2-(6-chloropyrazolo[3,4-b]pyrazin-1-yl)acetate has a molecular weight of 240.65 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-chloropyrazolo[3,4-b]pyrazin-1-yl)acetate is sourced from PubChem (CID 167253717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).