3-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

C6H6N4O — CID 135408749

IUPAC3-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1[nH]nc2c(=O)[nH]cnc12
InChIInChI=1S/C6H6N4O/c1-3-4-5(10-9-3)6(11)8-2-7-4/h2H,1H3,(H,9,10)(H,7,8,11)
InChIKeyCLQCSOBKSCRQQT-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.05
Rot. Bonds

About 3-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

3-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135408749) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 3-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135408749
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name3-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1[nH]nc2c(=O)[nH]cnc12
InChIInChI=1S/C6H6N4O/c1-3-4-5(10-9-3)6(11)8-2-7-4/h2H,1H3,(H,9,10)(H,7,8,11)
InChIKeyCLQCSOBKSCRQQT-UHFFFAOYSA-N
XLogP-0.05
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 3-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (CID 135408749) is 3-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 3-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 3-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is Cc1[nH]nc2c(=O)[nH]cnc12.
What is the InChIKey of 3-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is CLQCSOBKSCRQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-3-4-5(10-9-3)6(11)8-2-7-4/h2H,1H3,(H,9,10)(H,7,8,11).
What are the key properties of 3-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
3-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 150.14 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135408749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).