1H-triazolo[1,5-a]pyrimidin-7-one

C5H4N4O — CID 18918841

IUPAC1H-triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1ccnc2cn[nH]n12
InChIInChI=1S/C5H4N4O/c10-5-1-2-6-4-3-7-8-9(4)5/h1-3,8H
InChIKeyAYZYGCQLHSVVNH-UHFFFAOYSA-N
MW136.11 g/mol
LogP-0.58
Rot. Bonds

About 1H-triazolo[1,5-a]pyrimidin-7-one

1H-triazolo[1,5-a]pyrimidin-7-one (PubChem CID 18918841) has the molecular formula C5H4N4O and a molecular weight of 136.11 g/mol. Its IUPAC name is 1H-triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name1H-triazolo[1,5-a]pyrimidin-7-one
PubChem CID18918841
Molecular FormulaC5H4N4O
Molecular Weight136.11 g/mol
Exact Mass136.04
IUPAC Name1H-triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1ccnc2cn[nH]n12
InChIInChI=1S/C5H4N4O/c10-5-1-2-6-4-3-7-8-9(4)5/h1-3,8H
InChIKeyAYZYGCQLHSVVNH-UHFFFAOYSA-N
XLogP-0.58
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 1H-triazolo[1,5-a]pyrimidin-7-one (CID 18918841) is 1H-triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 1H-triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 1H-triazolo[1,5-a]pyrimidin-7-one is O=c1ccnc2cn[nH]n12.
What is the InChIKey of 1H-triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AYZYGCQLHSVVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O/c10-5-1-2-6-4-3-7-8-9(4)5/h1-3,8H.
What are the key properties of 1H-triazolo[1,5-a]pyrimidin-7-one?
1H-triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 136.11 g/mol, XLogP of -0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 18918841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).