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

C6H6N4O — CID 135833870

IUPAC2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCn1cc2nc[nH]c(=O)c2n1
InChIInChI=1S/C6H6N4O/c1-10-2-4-5(9-10)6(11)8-3-7-4/h2-3H,1H3,(H,7,8,11)
InChIKeyNCNHKGZVJKQTMB-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.34
Rot. Bonds

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

2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135833870) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135833870
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCn1cc2nc[nH]c(=O)c2n1
InChIInChI=1S/C6H6N4O/c1-10-2-4-5(9-10)6(11)8-3-7-4/h2-3H,1H3,(H,7,8,11)
InChIKeyNCNHKGZVJKQTMB-UHFFFAOYSA-N
XLogP-0.34
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (CID 135833870) is 2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is Cn1cc2nc[nH]c(=O)c2n1.
What is the InChIKey of 2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is NCNHKGZVJKQTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-10-2-4-5(9-10)6(11)8-3-7-4/h2-3H,1H3,(H,7,8,11).
What are the key properties of 2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 150.14 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135833870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).