5-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C6H7N5O — CID 13483763

IUPAC5-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(N)cnc21
InChIInChI=1S/C6H7N5O/c1-10-5-4(2-9-10)6(12)11(7)3-8-5/h2-3H,7H2,1H3
InChIKeyTVKDNILWGVYQAU-UHFFFAOYSA-N
MW165.16 g/mol
LogP-1.16
Rot. Bonds

About 5-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-one

5-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 13483763) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 5-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID13483763
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name5-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(N)cnc21
InChIInChI=1S/C6H7N5O/c1-10-5-4(2-9-10)6(12)11(7)3-8-5/h2-3H,7H2,1H3
InChIKeyTVKDNILWGVYQAU-UHFFFAOYSA-N
XLogP-1.16
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 13483763) is 5-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)n(N)cnc21.
What is the InChIKey of 5-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is TVKDNILWGVYQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c1-10-5-4(2-9-10)6(12)11(7)3-8-5/h2-3H,7H2,1H3.
What are the key properties of 5-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 165.16 g/mol, XLogP of -1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 13483763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).