6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C5H6N4O — CID 135636709

IUPAC6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESO=C1CCn2ncnc2N1
InChIInChI=1S/C5H6N4O/c10-4-1-2-9-5(8-4)6-3-7-9/h3H,1-2H2,(H,6,7,8,10)
InChIKeyRRMGVWWVPRRVBM-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.38
Rot. Bonds

About 6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 135636709) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is 6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID135636709
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC Name6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESO=C1CCn2ncnc2N1
InChIInChI=1S/C5H6N4O/c10-4-1-2-9-5(8-4)6-3-7-9/h3H,1-2H2,(H,6,7,8,10)
InChIKeyRRMGVWWVPRRVBM-UHFFFAOYSA-N
XLogP-0.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 135636709) is 6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is O=C1CCn2ncnc2N1.
What is the InChIKey of 6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is RRMGVWWVPRRVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O/c10-4-1-2-9-5(8-4)6-3-7-9/h3H,1-2H2,(H,6,7,8,10).
What are the key properties of 6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 138.13 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 135636709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).