5-amino-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one

C5H5N5O — CID 135451129

IUPAC5-amino-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one
SMILESNc1nc2cn[nH]c2c(=O)[nH]1
InChIInChI=1S/C5H5N5O/c6-5-8-2-1-7-10-3(2)4(11)9-5/h1H,(H,7,10)(H3,6,8,9,11)
InChIKeyQVHADJVGHYLOOF-UHFFFAOYSA-N
MW151.13 g/mol
LogP-0.77
Rot. Bonds

About 5-amino-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one

5-amino-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135451129) has the molecular formula C5H5N5O and a molecular weight of 151.13 g/mol. Its IUPAC name is 5-amino-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-amino-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135451129
Molecular FormulaC5H5N5O
Molecular Weight151.13 g/mol
Exact Mass151.05
IUPAC Name5-amino-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one
SMILESNc1nc2cn[nH]c2c(=O)[nH]1
InChIInChI=1S/C5H5N5O/c6-5-8-2-1-7-10-3(2)4(11)9-5/h1H,(H,7,10)(H3,6,8,9,11)
InChIKeyQVHADJVGHYLOOF-UHFFFAOYSA-N
XLogP-0.77
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-amino-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one (CID 135451129) is 5-amino-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-amino-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-amino-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one is Nc1nc2cn[nH]c2c(=O)[nH]1.
What is the InChIKey of 5-amino-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is QVHADJVGHYLOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O/c6-5-8-2-1-7-10-3(2)4(11)9-5/h1H,(H,7,10)(H3,6,8,9,11).
What are the key properties of 5-amino-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one?
5-amino-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 151.13 g/mol, XLogP of -0.77, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135451129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).