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

C5H6N4O — CID 55300409

IUPAC5,7-dihydro-4H-triazolo[1,5-a]pyrazin-6-one
SMILESO=C1Cn2nncc2CN1
InChIInChI=1S/C5H6N4O/c10-5-3-9-4(1-6-5)2-7-8-9/h2H,1,3H2,(H,6,10)
InChIKeyAMDKHCHJUCPWSW-UHFFFAOYSA-N
MW138.13 g/mol
LogP-1.09
Rot. Bonds

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

5,7-dihydro-4H-triazolo[1,5-a]pyrazin-6-one (PubChem CID 55300409) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is 5,7-dihydro-4H-triazolo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name5,7-dihydro-4H-triazolo[1,5-a]pyrazin-6-one
PubChem CID55300409
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC Name5,7-dihydro-4H-triazolo[1,5-a]pyrazin-6-one
SMILESO=C1Cn2nncc2CN1
InChIInChI=1S/C5H6N4O/c10-5-3-9-4(1-6-5)2-7-8-9/h2H,1,3H2,(H,6,10)
InChIKeyAMDKHCHJUCPWSW-UHFFFAOYSA-N
XLogP-1.09
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 ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydro-4H-triazolo[1,5-a]pyrazin-6-one?
The IUPAC name of 5,7-dihydro-4H-triazolo[1,5-a]pyrazin-6-one (CID 55300409) is 5,7-dihydro-4H-triazolo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 5,7-dihydro-4H-triazolo[1,5-a]pyrazin-6-one?
The canonical SMILES for 5,7-dihydro-4H-triazolo[1,5-a]pyrazin-6-one is O=C1Cn2nncc2CN1.
What is the InChIKey of 5,7-dihydro-4H-triazolo[1,5-a]pyrazin-6-one?
The InChIKey is AMDKHCHJUCPWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O/c10-5-3-9-4(1-6-5)2-7-8-9/h2H,1,3H2,(H,6,10).
What are the key properties of 5,7-dihydro-4H-triazolo[1,5-a]pyrazin-6-one?
5,7-dihydro-4H-triazolo[1,5-a]pyrazin-6-one has a molecular weight of 138.13 g/mol, XLogP of -1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydro-4H-triazolo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 55300409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).