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

C5H4N4O — CID 135460353

IUPAC1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one
SMILESO=c1[nH]cnc2cn[nH]c12
InChIInChI=1S/C5H4N4O/c10-5-4-3(1-8-9-4)6-2-7-5/h1-2H,(H,8,9)(H,6,7,10)
InChIKeyJFZSDNLQDTYVEE-UHFFFAOYSA-N
MW136.11 g/mol
LogP-0.35
Rot. Bonds

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

1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135460353) has the molecular formula C5H4N4O and a molecular weight of 136.11 g/mol. Its IUPAC name is 1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135460353
Molecular FormulaC5H4N4O
Molecular Weight136.11 g/mol
Exact Mass136.04
IUPAC Name1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one
SMILESO=c1[nH]cnc2cn[nH]c12
InChIInChI=1S/C5H4N4O/c10-5-4-3(1-8-9-4)6-2-7-5/h1-2H,(H,8,9)(H,6,7,10)
InChIKeyJFZSDNLQDTYVEE-UHFFFAOYSA-N
XLogP-0.35
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135449549
4-amino-1H-pyrazole-5-carboxamide
CID 580973
4-((1E)-3,3-Dimethyltriaz-1-en-1-yl)-1H-pyrazole-3-carboxamide
CID 279946
5-Chloro-1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 135741770
2-methyl-2H-pyrazolo(4,3-d)pyrimidin-7-ol
CID 135833870
4-amino-N-cyclopropyl-1H-pyrazole-3-carboxamide
CID 63107017
Pyrazolotriazinol
CID 136315612
(2,7-Dihydroxy)pyrazolo-pyrimidine
CID 150583586
5-(Trifluoromethyl)-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one
CID 162518235
1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 167236129
1-(1,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 175523841
1-(trifluoromethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 176212867

Frequently Asked Questions

What is the IUPAC name of 1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one (CID 135460353) is 1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one is O=c1[nH]cnc2cn[nH]c12.
What is the InChIKey of 1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is JFZSDNLQDTYVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O/c10-5-4-3(1-8-9-4)6-2-7-5/h1-2H,(H,8,9)(H,6,7,10).
What are the key properties of 1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one?
1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 136.11 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135460353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).