3,7-dihydropyrazolo[5,4-d]triazin-4-one

C4H3N5O — CID 135466820

IUPAC3,7-dihydropyrazolo[5,4-d]triazin-4-one
SMILESO=c1[nH]nnc2[nH]ncc12
InChIInChI=1S/C4H3N5O/c10-4-2-1-5-6-3(2)7-9-8-4/h1H,(H2,5,6,7,8,10)
InChIKeyVRWYQPYSMDXLKR-UHFFFAOYSA-N
MW137.10 g/mol
LogP-0.96
Rot. Bonds

About 3,7-dihydropyrazolo[5,4-d]triazin-4-one

3,7-dihydropyrazolo[5,4-d]triazin-4-one (PubChem CID 135466820) has the molecular formula C4H3N5O and a molecular weight of 137.10 g/mol. Its IUPAC name is 3,7-dihydropyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name3,7-dihydropyrazolo[5,4-d]triazin-4-one
PubChem CID135466820
Molecular FormulaC4H3N5O
Molecular Weight137.10 g/mol
Exact Mass137.03
IUPAC Name3,7-dihydropyrazolo[5,4-d]triazin-4-one
SMILESO=c1[nH]nnc2[nH]ncc12
InChIInChI=1S/C4H3N5O/c10-4-2-1-5-6-3(2)7-9-8-4/h1H,(H2,5,6,7,8,10)
InChIKeyVRWYQPYSMDXLKR-UHFFFAOYSA-N
XLogP-0.96
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.10
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Allopurinol
CID 135401907
1H-Pyrazole-4-carboxamide, 3-amino-
CID 79254
Happ
CID 135403386
6-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one
CID 135456970
Allopurinol (monosodium salt)
CID 135534565
Pyrazole-4-carboxamide, 3-(3-butyl-3-methyl-1-triazeno)-
CID 135666434
5-amino-1H-pyrazole-4-carbaldehyde
CID 21791118
2,2-Dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-one
CID 136502475
3-Amino-4-carboxamidopyrazolium Hydrogen Sulfate
CID 234619
5-Amino-N-methyl-1H-pyrazole-4-carboxamide
CID 10844455
6-chloro-1H,4H,7H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408757
6-hydrazinyl-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135905161

Frequently Asked Questions

What is the IUPAC name of 3,7-dihydropyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 3,7-dihydropyrazolo[5,4-d]triazin-4-one (CID 135466820) is 3,7-dihydropyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 3,7-dihydropyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 3,7-dihydropyrazolo[5,4-d]triazin-4-one is O=c1[nH]nnc2[nH]ncc12.
What is the InChIKey of 3,7-dihydropyrazolo[5,4-d]triazin-4-one?
The InChIKey is VRWYQPYSMDXLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N5O/c10-4-2-1-5-6-3(2)7-9-8-4/h1H,(H2,5,6,7,8,10).
What are the key properties of 3,7-dihydropyrazolo[5,4-d]triazin-4-one?
3,7-dihydropyrazolo[5,4-d]triazin-4-one has a molecular weight of 137.10 g/mol, XLogP of -0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydropyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 135466820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).