3-chloro-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine

C11H13ClN4O — CID 118988228

IUPAC3-chloro-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine
SMILESCc1cnc2c(n1)c(Cl)nn2C1CCCCO1
InChIInChI=1S/C11H13ClN4O/c1-7-6-13-11-9(14-7)10(12)15-16(11)8-4-2-3-5-17-8/h6,8H,2-5H2,1H3
InChIKeyLVYMZEGUEILJQF-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.49
Rot. Bonds1

About 3-chloro-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine

3-chloro-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine (PubChem CID 118988228) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 3-chloro-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-chloro-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine
PubChem CID118988228
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name3-chloro-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine
SMILESCc1cnc2c(n1)c(Cl)nn2C1CCCCO1
InChIInChI=1S/C11H13ClN4O/c1-7-6-13-11-9(14-7)10(12)15-16(11)8-4-2-3-5-17-8/h6,8H,2-5H2,1H3
InChIKeyLVYMZEGUEILJQF-UHFFFAOYSA-N
XLogP2.49
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-iodo-5-methyl-1-[(2R)-oxan-2-yl]pyrazolo[3,4-b]pyrazine
CID 125418917
3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine
CID 141132128
6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine
CID 129389721
5-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
CID 121228950
5-iodo-3-methyl-1-(oxan-2-yl)pyrazole
CID 56776945
3-(chloromethyl)-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine
CID 143866443
7-chloro-1-[(2S)-oxan-2-yl]indazol-5-amine
CID 167157773
3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 57355918
3-chloro-1-(oxan-2-yl)indazole
CID 66909910
4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one
CID 54704159
6-chloro-9-(oxan-2-yl)purine-8-carbaldehyde
CID 146349551
4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one
CID 97110887

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-chloro-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine (CID 118988228) is 3-chloro-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-chloro-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-chloro-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine is Cc1cnc2c(n1)c(Cl)nn2C1CCCCO1.
What is the InChIKey of 3-chloro-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine?
The InChIKey is LVYMZEGUEILJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-7-6-13-11-9(14-7)10(12)15-16(11)8-4-2-3-5-17-8/h6,8H,2-5H2,1H3.
What are the key properties of 3-chloro-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine?
3-chloro-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine has a molecular weight of 252.70 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 118988228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).