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

C5H4N4O — CID 118678674

IUPAC3H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
SMILESO=c1ccnc2n1CN=N2
InChIInChI=1S/C5H4N4O/c10-4-1-2-6-5-8-7-3-9(4)5/h1-2H,3H2
InChIKeyZXNFDNUSZFGTFV-UHFFFAOYSA-N
MW136.11 g/mol
LogP0.30
Rot. Bonds

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

3H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one (PubChem CID 118678674) has the molecular formula C5H4N4O and a molecular weight of 136.11 g/mol. Its IUPAC name is 3H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one.

Molecular Properties

Compound Name3H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
PubChem CID118678674
Molecular FormulaC5H4N4O
Molecular Weight136.11 g/mol
Exact Mass136.04
IUPAC Name3H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
SMILESO=c1ccnc2n1CN=N2
InChIInChI=1S/C5H4N4O/c10-4-1-2-6-5-8-7-3-9(4)5/h1-2H,3H2
InChIKeyZXNFDNUSZFGTFV-UHFFFAOYSA-N
XLogP0.30
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
The IUPAC name of 3H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one (CID 118678674) is 3H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one.
What is the SMILES notation for 3H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
The canonical SMILES for 3H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one is O=c1ccnc2n1CN=N2.
What is the InChIKey of 3H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
The InChIKey is ZXNFDNUSZFGTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O/c10-4-1-2-6-5-8-7-3-9(4)5/h1-2H,3H2.
What are the key properties of 3H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
3H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one has a molecular weight of 136.11 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one is sourced from PubChem (CID 118678674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).