1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;1H-pyrimidine-2,4-dione

C9H8N6O3 — CID 135788293

IUPAC1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cnc2[nH]ncc12.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C5H4N4O.C4H4N2O2/c10-5-3-1-8-9-4(3)6-2-7-5;7-3-1-2-5-4(8)6-3/h1-2H,(H2,6,7,8,9,10);1-2H,(H2,5,6,7,8)
InChIKeyIFPSZXMBBOHJED-UHFFFAOYSA-N
MW248.20 g/mol
LogP-1.29
Rot. Bonds

About 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;1H-pyrimidine-2,4-dione

1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;1H-pyrimidine-2,4-dione (PubChem CID 135788293) has the molecular formula C9H8N6O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;1H-pyrimidine-2,4-dione
PubChem CID135788293
Molecular FormulaC9H8N6O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cnc2[nH]ncc12.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C5H4N4O.C4H4N2O2/c10-5-3-1-8-9-4(3)6-2-7-5;7-3-1-2-5-4(8)6-3/h1-2H,(H2,6,7,8,9,10);1-2H,(H2,5,6,7,8)
InChIKeyIFPSZXMBBOHJED-UHFFFAOYSA-N
XLogP-1.29
TPSA140.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;1H-pyrimidine-2,4-dione?
The IUPAC name of 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;1H-pyrimidine-2,4-dione (CID 135788293) is 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;1H-pyrimidine-2,4-dione.
What is the SMILES notation for 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;1H-pyrimidine-2,4-dione?
The canonical SMILES for 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;1H-pyrimidine-2,4-dione is O=c1[nH]cnc2[nH]ncc12.O=c1cc[nH]c(=O)[nH]1.
What is the InChIKey of 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;1H-pyrimidine-2,4-dione?
The InChIKey is IFPSZXMBBOHJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O.C4H4N2O2/c10-5-3-1-8-9-4(3)6-2-7-5;7-3-1-2-5-4(8)6-3/h1-2H,(H2,6,7,8,9,10);1-2H,(H2,5,6,7,8).
What are the key properties of 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;1H-pyrimidine-2,4-dione?
1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;1H-pyrimidine-2,4-dione has a molecular weight of 248.20 g/mol, XLogP of -1.29, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135788293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).