3-methyl-2H-pyrazolo[3,4-b]pyrazine-5-carbaldehyde

C7H6N4O — CID 169168327

IUPAC3-methyl-2H-pyrazolo[3,4-b]pyrazine-5-carbaldehyde
SMILESCc1[nH]nc2ncc(C=O)nc12
InChIInChI=1S/C7H6N4O/c1-4-6-7(11-10-4)8-2-5(3-12)9-6/h2-3H,1H3,(H,8,10,11)
InChIKeyHYTLSERDHQWJSH-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.47
Rot. Bonds1

About 3-methyl-2H-pyrazolo[3,4-b]pyrazine-5-carbaldehyde

3-methyl-2H-pyrazolo[3,4-b]pyrazine-5-carbaldehyde (PubChem CID 169168327) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 3-methyl-2H-pyrazolo[3,4-b]pyrazine-5-carbaldehyde.

Molecular Properties

Compound Name3-methyl-2H-pyrazolo[3,4-b]pyrazine-5-carbaldehyde
PubChem CID169168327
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name3-methyl-2H-pyrazolo[3,4-b]pyrazine-5-carbaldehyde
SMILESCc1[nH]nc2ncc(C=O)nc12
InChIInChI=1S/C7H6N4O/c1-4-6-7(11-10-4)8-2-5(3-12)9-6/h2-3H,1H3,(H,8,10,11)
InChIKeyHYTLSERDHQWJSH-UHFFFAOYSA-N
XLogP0.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-pyrazolo[3,4-b]pyrazine-5-carbaldehyde?
The IUPAC name of 3-methyl-2H-pyrazolo[3,4-b]pyrazine-5-carbaldehyde (CID 169168327) is 3-methyl-2H-pyrazolo[3,4-b]pyrazine-5-carbaldehyde.
What is the SMILES notation for 3-methyl-2H-pyrazolo[3,4-b]pyrazine-5-carbaldehyde?
The canonical SMILES for 3-methyl-2H-pyrazolo[3,4-b]pyrazine-5-carbaldehyde is Cc1[nH]nc2ncc(C=O)nc12.
What is the InChIKey of 3-methyl-2H-pyrazolo[3,4-b]pyrazine-5-carbaldehyde?
The InChIKey is HYTLSERDHQWJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c1-4-6-7(11-10-4)8-2-5(3-12)9-6/h2-3H,1H3,(H,8,10,11).
What are the key properties of 3-methyl-2H-pyrazolo[3,4-b]pyrazine-5-carbaldehyde?
3-methyl-2H-pyrazolo[3,4-b]pyrazine-5-carbaldehyde has a molecular weight of 162.15 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-pyrazolo[3,4-b]pyrazine-5-carbaldehyde is sourced from PubChem (CID 169168327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).