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

C5H3ClN4O — CID 13465971

IUPAC5-chloro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(Cl)nc2nc[nH]n12
InChIInChI=1S/C5H3ClN4O/c6-3-1-4(11)10-5(9-3)7-2-8-10/h1-2H,(H,7,8,9)
InChIKeyOIMZPIMUQKSKGZ-UHFFFAOYSA-N
MW170.56 g/mol
LogP0.07
Rot. Bonds

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

5-chloro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 13465971) has the molecular formula C5H3ClN4O and a molecular weight of 170.56 g/mol. Its IUPAC name is 5-chloro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-chloro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID13465971
Molecular FormulaC5H3ClN4O
Molecular Weight170.56 g/mol
Exact Mass170.00
IUPAC Name5-chloro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(Cl)nc2nc[nH]n12
InChIInChI=1S/C5H3ClN4O/c6-3-1-4(11)10-5(9-3)7-2-8-10/h1-2H,(H,7,8,9)
InChIKeyOIMZPIMUQKSKGZ-UHFFFAOYSA-N
XLogP0.07
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.56
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-chloro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 13465971) is 5-chloro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-chloro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-chloro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(Cl)nc2nc[nH]n12.
What is the InChIKey of 5-chloro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OIMZPIMUQKSKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN4O/c6-3-1-4(11)10-5(9-3)7-2-8-10/h1-2H,(H,7,8,9).
What are the key properties of 5-chloro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-chloro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 170.56 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 13465971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).