6-chloro-1-cyclobutylpyrazolo[3,4-b]pyrazine

C9H9ClN4 — CID 175891792

IUPAC6-chloro-1-cyclobutylpyrazolo[3,4-b]pyrazine
SMILESClc1cnc2cnn(C3CCC3)c2n1
InChIInChI=1S/C9H9ClN4/c10-8-5-11-7-4-12-14(9(7)13-8)6-2-1-3-6/h4-6H,1-3H2
InChIKeyXBRVQHQFZOYEBC-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.20
Rot. Bonds1

About 6-chloro-1-cyclobutylpyrazolo[3,4-b]pyrazine

6-chloro-1-cyclobutylpyrazolo[3,4-b]pyrazine (PubChem CID 175891792) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 6-chloro-1-cyclobutylpyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6-chloro-1-cyclobutylpyrazolo[3,4-b]pyrazine
PubChem CID175891792
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name6-chloro-1-cyclobutylpyrazolo[3,4-b]pyrazine
SMILESClc1cnc2cnn(C3CCC3)c2n1
InChIInChI=1S/C9H9ClN4/c10-8-5-11-7-4-12-14(9(7)13-8)6-2-1-3-6/h4-6H,1-3H2
InChIKeyXBRVQHQFZOYEBC-UHFFFAOYSA-N
XLogP2.20
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1H-pyrazolo(3,4-b)pyrazine
CID 59421494
1-Methyl-6-(trichloromethyl)pyrazolo[3,4-b]pyrazin-3-amine
CID 296470
1,5,6-trimethyl-1H-pyrazolo[3,4-b]pyrazine
CID 301595
4-Chloroimidazo(4,3-f)(1,2,4)triazine
CID 45480448
6-Chloro-1H-pyrazolo[3,4-b]pyrazine
CID 71463967
6-Chloropyrazolo[1,5-a]pyrimidin-3-amine
CID 84717303
3-Methyl-3H-1,2,3-triazolo(4,5-d)pyrimidine
CID 10011945
1-methyl-1H-[1,2,3]triazolo[4,5-d]pyrimidine
CID 12259247
2-Methyl-2H-[1,2,3]triazolo[4,5-d]pyrimidine
CID 12259248
v-Triazolo(4,5-d)pyrimidine, (3H),3-cyclopentyl-
CID 140177
2-(8-Chloro-(1,2,4)triazolo(4,3-a)pyrazin-3-yl)pyrazine
CID 64368893
6-chloro-2-methyl-2H-pyrazolo(3,4-b)pyrazine
CID 145944980

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-cyclobutylpyrazolo[3,4-b]pyrazine?
The IUPAC name of 6-chloro-1-cyclobutylpyrazolo[3,4-b]pyrazine (CID 175891792) is 6-chloro-1-cyclobutylpyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 6-chloro-1-cyclobutylpyrazolo[3,4-b]pyrazine?
The canonical SMILES for 6-chloro-1-cyclobutylpyrazolo[3,4-b]pyrazine is Clc1cnc2cnn(C3CCC3)c2n1.
What is the InChIKey of 6-chloro-1-cyclobutylpyrazolo[3,4-b]pyrazine?
The InChIKey is XBRVQHQFZOYEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c10-8-5-11-7-4-12-14(9(7)13-8)6-2-1-3-6/h4-6H,1-3H2.
What are the key properties of 6-chloro-1-cyclobutylpyrazolo[3,4-b]pyrazine?
6-chloro-1-cyclobutylpyrazolo[3,4-b]pyrazine has a molecular weight of 208.65 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-cyclobutylpyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 175891792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).