molecular hydrogen;3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine

C8H12N4 — CID 169149216

IUPACmolecular hydrogen;3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCc1nc(C)c2c(C)[nH]nc2n1.[H][H]
InChIInChI=1S/C8H10N4.H2/c1-4-7-5(2)11-12-8(7)10-6(3)9-4;/h1-3H3,(H,9,10,11,12);1H
InChIKeyRJWGGYFKWLAYNK-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.52
Rot. Bonds

About molecular hydrogen;3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine

molecular hydrogen;3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 169149216) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is molecular hydrogen;3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Namemolecular hydrogen;3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID169149216
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Namemolecular hydrogen;3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCc1nc(C)c2c(C)[nH]nc2n1.[H][H]
InChIInChI=1S/C8H10N4.H2/c1-4-7-5(2)11-12-8(7)10-6(3)9-4;/h1-3H3,(H,9,10,11,12);1H
InChIKeyRJWGGYFKWLAYNK-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of molecular hydrogen;3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine (CID 169149216) is molecular hydrogen;3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for molecular hydrogen;3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for molecular hydrogen;3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine is Cc1nc(C)c2c(C)[nH]nc2n1.[H][H].
What is the InChIKey of molecular hydrogen;3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is RJWGGYFKWLAYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4.H2/c1-4-7-5(2)11-12-8(7)10-6(3)9-4;/h1-3H3,(H,9,10,11,12);1H.
What are the key properties of molecular hydrogen;3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine?
molecular hydrogen;3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 164.21 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 169149216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).