5,8-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one

C5H6N4O — CID 137211537

IUPAC5,8-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
SMILESO=c1[nH]nc2n1CC=CN2
InChIInChI=1S/C5H6N4O/c10-5-8-7-4-6-2-1-3-9(4)5/h1-2H,3H2,(H,6,7)(H,8,10)
InChIKeyGVQAMWZPJZTWNZ-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.49
Rot. Bonds

About 5,8-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one

5,8-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one (PubChem CID 137211537) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is 5,8-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one.

Molecular Properties

Compound Name5,8-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
PubChem CID137211537
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC Name5,8-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
SMILESO=c1[nH]nc2n1CC=CN2
InChIInChI=1S/C5H6N4O/c10-5-8-7-4-6-2-1-3-9(4)5/h1-2H,3H2,(H,6,7)(H,8,10)
InChIKeyGVQAMWZPJZTWNZ-UHFFFAOYSA-N
XLogP-0.49
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,8-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one?
The IUPAC name of 5,8-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one (CID 137211537) is 5,8-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one.
What is the SMILES notation for 5,8-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one?
The canonical SMILES for 5,8-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one is O=c1[nH]nc2n1CC=CN2.
What is the InChIKey of 5,8-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one?
The InChIKey is GVQAMWZPJZTWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O/c10-5-8-7-4-6-2-1-3-9(4)5/h1-2H,3H2,(H,6,7)(H,8,10).
What are the key properties of 5,8-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one?
5,8-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one has a molecular weight of 138.13 g/mol, XLogP of -0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one is sourced from PubChem (CID 137211537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).