5-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione

C5H5N5O2 — CID 137049875

IUPAC5-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione
SMILESNn1c(=O)[nH]c2[nH]ncc2c1=O
InChIInChI=1S/C5H5N5O2/c6-10-4(11)2-1-7-9-3(2)8-5(10)12/h1H,6H2,(H2,7,8,9,12)
InChIKeyKUVSZZPKACFPKP-UHFFFAOYSA-N
MW167.13 g/mol
LogP-1.87
Rot. Bonds

About 5-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione

5-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione (PubChem CID 137049875) has the molecular formula C5H5N5O2 and a molecular weight of 167.13 g/mol. Its IUPAC name is 5-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione
PubChem CID137049875
Molecular FormulaC5H5N5O2
Molecular Weight167.13 g/mol
Exact Mass167.04
IUPAC Name5-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione
SMILESNn1c(=O)[nH]c2[nH]ncc2c1=O
InChIInChI=1S/C5H5N5O2/c6-10-4(11)2-1-7-9-3(2)8-5(10)12/h1H,6H2,(H2,7,8,9,12)
InChIKeyKUVSZZPKACFPKP-UHFFFAOYSA-N
XLogP-1.87
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione?
The IUPAC name of 5-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione (CID 137049875) is 5-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 5-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 5-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione is Nn1c(=O)[nH]c2[nH]ncc2c1=O.
What is the InChIKey of 5-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione?
The InChIKey is KUVSZZPKACFPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O2/c6-10-4(11)2-1-7-9-3(2)8-5(10)12/h1H,6H2,(H2,7,8,9,12).
What are the key properties of 5-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione?
5-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione has a molecular weight of 167.13 g/mol, XLogP of -1.87, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 137049875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).