2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one

C4H3N5O — CID 135410720

IUPAC2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one
SMILESO=c1[nH]cnc2n[nH]nc12
InChIInChI=1S/C4H3N5O/c10-4-2-3(5-1-6-4)8-9-7-2/h1H,(H2,5,6,7,8,9,10)
InChIKeyOEEYCNOOAHGFHL-UHFFFAOYSA-N
MW137.10 g/mol
LogP-0.96
Rot. Bonds

About 2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one

2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one (PubChem CID 135410720) has the molecular formula C4H3N5O and a molecular weight of 137.10 g/mol. Its IUPAC name is 2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one
PubChem CID135410720
Molecular FormulaC4H3N5O
Molecular Weight137.10 g/mol
Exact Mass137.03
IUPAC Name2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one
SMILESO=c1[nH]cnc2n[nH]nc12
InChIInChI=1S/C4H3N5O/c10-4-2-3(5-1-6-4)8-9-7-2/h1H,(H2,5,6,7,8,9,10)
InChIKeyOEEYCNOOAHGFHL-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

1,7-dihydropurin-6-one
CID 135546991
azane;1,7-dihydropurin-6-one
CID 158320966
3-methyl-6H-pyrimido[5,4-e][1,2,4]triazin-5-one
CID 135460323
6-methoxy-3H-pteridin-4-one
CID 135742619
azanide;1,9-dihydropurin-6-one;ruthenium(8+);chloride
CID 138986802
7-(4-hydroxyphenyl)-3H-pteridin-4-one
CID 135538154
6-fluoro-3H-pyrido[3,2-d]pyrimidin-4-one
CID 135427088
2-(4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl)acetic acid
CID 135767185
6-[(1R,2S)-1,2,3-trihydroxypropyl]-3H-pteridin-4-one
CID 136646470
3,5-dihydropteridine-4,6-dione
CID 135755313
6-(3-methylphenyl)-3H-pteridin-4-one
CID 155956896
7-(3-chlorophenyl)-3H-pteridin-4-one
CID 135737554

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one (CID 135410720) is 2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one is O=c1[nH]cnc2n[nH]nc12.
What is the InChIKey of 2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one?
The InChIKey is OEEYCNOOAHGFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N5O/c10-4-2-3(5-1-6-4)8-9-7-2/h1H,(H2,5,6,7,8,9,10).
What are the key properties of 2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one?
2,6-dihydrotriazolo[4,5-d]pyrimidin-7-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 2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135410720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).