3-methyl-2H-pyrazolo[3,4-d]pyrimidine;molecular hydrogen

C6H8N4 — CID 145480449

IUPAC3-methyl-2H-pyrazolo[3,4-d]pyrimidine;molecular hydrogen
SMILESCc1[nH]nc2ncncc12.[H][H]
InChIInChI=1S/C6H6N4.H2/c1-4-5-2-7-3-8-6(5)10-9-4;/h2-3H,1H3,(H,7,8,9,10);1H
InChIKeyQENYSLGOXLLYKQ-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.91
Rot. Bonds

About 3-methyl-2H-pyrazolo[3,4-d]pyrimidine;molecular hydrogen

3-methyl-2H-pyrazolo[3,4-d]pyrimidine;molecular hydrogen (PubChem CID 145480449) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 3-methyl-2H-pyrazolo[3,4-d]pyrimidine;molecular hydrogen.

Molecular Properties

Compound Name3-methyl-2H-pyrazolo[3,4-d]pyrimidine;molecular hydrogen
PubChem CID145480449
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name3-methyl-2H-pyrazolo[3,4-d]pyrimidine;molecular hydrogen
SMILESCc1[nH]nc2ncncc12.[H][H]
InChIInChI=1S/C6H6N4.H2/c1-4-5-2-7-3-8-6(5)10-9-4;/h2-3H,1H3,(H,7,8,9,10);1H
InChIKeyQENYSLGOXLLYKQ-UHFFFAOYSA-N
XLogP0.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-pyrazolo[3,4-d]pyrimidine;molecular hydrogen?
The IUPAC name of 3-methyl-2H-pyrazolo[3,4-d]pyrimidine;molecular hydrogen (CID 145480449) is 3-methyl-2H-pyrazolo[3,4-d]pyrimidine;molecular hydrogen.
What is the SMILES notation for 3-methyl-2H-pyrazolo[3,4-d]pyrimidine;molecular hydrogen?
The canonical SMILES for 3-methyl-2H-pyrazolo[3,4-d]pyrimidine;molecular hydrogen is Cc1[nH]nc2ncncc12.[H][H].
What is the InChIKey of 3-methyl-2H-pyrazolo[3,4-d]pyrimidine;molecular hydrogen?
The InChIKey is QENYSLGOXLLYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4.H2/c1-4-5-2-7-3-8-6(5)10-9-4;/h2-3H,1H3,(H,7,8,9,10);1H.
What are the key properties of 3-methyl-2H-pyrazolo[3,4-d]pyrimidine;molecular hydrogen?
3-methyl-2H-pyrazolo[3,4-d]pyrimidine;molecular hydrogen has a molecular weight of 136.16 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-pyrazolo[3,4-d]pyrimidine;molecular hydrogen is sourced from PubChem (CID 145480449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).