6-chloro-3-methyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

C6H5ClN4O — CID 137174663

IUPAC6-chloro-3-methyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESCc1[nH]nc2nc(Cl)[nH]c(=O)c12
InChIInChI=1S/C6H5ClN4O/c1-2-3-4(11-10-2)8-6(7)9-5(3)12/h1H3,(H2,8,9,10,11,12)
InChIKeyRXBHEOANKNZAFV-UHFFFAOYSA-N
MW184.59 g/mol
LogP0.61
Rot. Bonds

About 6-chloro-3-methyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

6-chloro-3-methyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 137174663) has the molecular formula C6H5ClN4O and a molecular weight of 184.59 g/mol. Its IUPAC name is 6-chloro-3-methyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-methyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID137174663
Molecular FormulaC6H5ClN4O
Molecular Weight184.59 g/mol
Exact Mass184.02
IUPAC Name6-chloro-3-methyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESCc1[nH]nc2nc(Cl)[nH]c(=O)c12
InChIInChI=1S/C6H5ClN4O/c1-2-3-4(11-10-2)8-6(7)9-5(3)12/h1H3,(H2,8,9,10,11,12)
InChIKeyRXBHEOANKNZAFV-UHFFFAOYSA-N
XLogP0.61
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.59
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-methyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 137174663) is 6-chloro-3-methyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-methyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-methyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is Cc1[nH]nc2nc(Cl)[nH]c(=O)c12.
What is the InChIKey of 6-chloro-3-methyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is RXBHEOANKNZAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4O/c1-2-3-4(11-10-2)8-6(7)9-5(3)12/h1H3,(H2,8,9,10,11,12).
What are the key properties of 6-chloro-3-methyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
6-chloro-3-methyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 184.59 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137174663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).