5-methyl-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one

C6H6N4O — CID 135548776

IUPAC5-methyl-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nc2cn[nH]c2c(=O)[nH]1
InChIInChI=1S/C6H6N4O/c1-3-8-4-2-7-10-5(4)6(11)9-3/h2H,1H3,(H,7,10)(H,8,9,11)
InChIKeyKJGPQVNCQAEOSM-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.05
Rot. Bonds

About 5-methyl-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one

5-methyl-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135548776) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 5-methyl-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135548776
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name5-methyl-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nc2cn[nH]c2c(=O)[nH]1
InChIInChI=1S/C6H6N4O/c1-3-8-4-2-7-10-5(4)6(11)9-3/h2H,1H3,(H,7,10)(H,8,9,11)
InChIKeyKJGPQVNCQAEOSM-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 5-methyl-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-methyl-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one (CID 135548776) is 5-methyl-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-methyl-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one is Cc1nc2cn[nH]c2c(=O)[nH]1.
What is the InChIKey of 5-methyl-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is KJGPQVNCQAEOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-3-8-4-2-7-10-5(4)6(11)9-3/h2H,1H3,(H,7,10)(H,8,9,11).
What are the key properties of 5-methyl-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one?
5-methyl-1,6-dihydropyrazolo[4,5-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 5-methyl-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135548776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).