1-methylpyrazolo[3,4-b]pyrazine

C6H6N4 — CID 59421494

IUPAC1-methylpyrazolo[3,4-b]pyrazine
SMILESCn1ncc2nccnc21
InChIInChI=1S/C6H6N4/c1-10-6-5(4-9-10)7-2-3-8-6/h2-4H,1H3
InChIKeyRRRIVLVAFKDWCH-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.36
Rot. Bonds

About 1-methylpyrazolo[3,4-b]pyrazine

1-methylpyrazolo[3,4-b]pyrazine (PubChem CID 59421494) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 1-methylpyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name1-methylpyrazolo[3,4-b]pyrazine
PubChem CID59421494
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name1-methylpyrazolo[3,4-b]pyrazine
SMILESCn1ncc2nccnc21
InChIInChI=1S/C6H6N4/c1-10-6-5(4-9-10)7-2-3-8-6/h2-4H,1H3
InChIKeyRRRIVLVAFKDWCH-UHFFFAOYSA-N
XLogP0.36
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrazolo[3,4-b]pyrazine?
The IUPAC name of 1-methylpyrazolo[3,4-b]pyrazine (CID 59421494) is 1-methylpyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 1-methylpyrazolo[3,4-b]pyrazine?
The canonical SMILES for 1-methylpyrazolo[3,4-b]pyrazine is Cn1ncc2nccnc21.
What is the InChIKey of 1-methylpyrazolo[3,4-b]pyrazine?
The InChIKey is RRRIVLVAFKDWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-10-6-5(4-9-10)7-2-3-8-6/h2-4H,1H3.
What are the key properties of 1-methylpyrazolo[3,4-b]pyrazine?
1-methylpyrazolo[3,4-b]pyrazine has a molecular weight of 134.14 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 59421494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).