ethane;4-methyl-1H-pyrazolo[3,4-d]pyrimidine

C8H12N4 — CID 143782754

IUPACethane;4-methyl-1H-pyrazolo[3,4-d]pyrimidine
SMILESCC.Cc1ncnc2[nH]ncc12
InChIInChI=1S/C6H6N4.C2H6/c1-4-5-2-9-10-6(5)8-3-7-4;1-2/h2-3H,1H3,(H,7,8,9,10);1-2H3
InChIKeyPKZKICPORUEUFT-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.69
Rot. Bonds

About ethane;4-methyl-1H-pyrazolo[3,4-d]pyrimidine

ethane;4-methyl-1H-pyrazolo[3,4-d]pyrimidine (PubChem CID 143782754) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is ethane;4-methyl-1H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Nameethane;4-methyl-1H-pyrazolo[3,4-d]pyrimidine
PubChem CID143782754
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Nameethane;4-methyl-1H-pyrazolo[3,4-d]pyrimidine
SMILESCC.Cc1ncnc2[nH]ncc12
InChIInChI=1S/C6H6N4.C2H6/c1-4-5-2-9-10-6(5)8-3-7-4;1-2/h2-3H,1H3,(H,7,8,9,10);1-2H3
InChIKeyPKZKICPORUEUFT-UHFFFAOYSA-N
XLogP1.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of ethane;4-methyl-1H-pyrazolo[3,4-d]pyrimidine (CID 143782754) is ethane;4-methyl-1H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for ethane;4-methyl-1H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for ethane;4-methyl-1H-pyrazolo[3,4-d]pyrimidine is CC.Cc1ncnc2[nH]ncc12.
What is the InChIKey of ethane;4-methyl-1H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is PKZKICPORUEUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4.C2H6/c1-4-5-2-9-10-6(5)8-3-7-4;1-2/h2-3H,1H3,(H,7,8,9,10);1-2H3.
What are the key properties of ethane;4-methyl-1H-pyrazolo[3,4-d]pyrimidine?
ethane;4-methyl-1H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 164.21 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 143782754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).