6-amino-5,7a-dihydropyrazolo[3,4-d]pyrimidin-4-one

C5H5N5O — CID 76848281

IUPAC6-amino-5,7a-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESNC1=NC2N=NC=C2C(=O)N1
InChIInChI=1S/C5H5N5O/c6-5-8-3-2(1-7-10-3)4(11)9-5/h1,3H,(H3,6,8,9,11)
InChIKeyLAWCGBSGGZBGCM-UHFFFAOYSA-N
MW151.13 g/mol
LogP-0.89
Rot. Bonds

About 6-amino-5,7a-dihydropyrazolo[3,4-d]pyrimidin-4-one

6-amino-5,7a-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 76848281) has the molecular formula C5H5N5O and a molecular weight of 151.13 g/mol. Its IUPAC name is 6-amino-5,7a-dihydropyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-5,7a-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID76848281
Molecular FormulaC5H5N5O
Molecular Weight151.13 g/mol
Exact Mass151.05
IUPAC Name6-amino-5,7a-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESNC1=NC2N=NC=C2C(=O)N1
InChIInChI=1S/C5H5N5O/c6-5-8-3-2(1-7-10-3)4(11)9-5/h1,3H,(H3,6,8,9,11)
InChIKeyLAWCGBSGGZBGCM-UHFFFAOYSA-N
XLogP-0.89
TPSA92.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5,7a-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-amino-5,7a-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 76848281) is 6-amino-5,7a-dihydropyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-amino-5,7a-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-amino-5,7a-dihydropyrazolo[3,4-d]pyrimidin-4-one is NC1=NC2N=NC=C2C(=O)N1.
What is the InChIKey of 6-amino-5,7a-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is LAWCGBSGGZBGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O/c6-5-8-3-2(1-7-10-3)4(11)9-5/h1,3H,(H3,6,8,9,11).
What are the key properties of 6-amino-5,7a-dihydropyrazolo[3,4-d]pyrimidin-4-one?
6-amino-5,7a-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 151.13 g/mol, XLogP of -0.89, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5,7a-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 76848281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).