5-(2-chlorophenyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C13H11ClN4O — CID 17147880

IUPAC5-(2-chlorophenyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1nc2nc(-c3ccccc3Cl)cc(=O)n2[nH]1
InChIInChI=1S/C13H11ClN4O/c1-2-11-16-13-15-10(7-12(19)18(13)17-11)8-5-3-4-6-9(8)14/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyIWYIGPOEMPKZKE-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.30
Rot. Bonds2

About 5-(2-chlorophenyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-(2-chlorophenyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 17147880) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID17147880
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name5-(2-chlorophenyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1nc2nc(-c3ccccc3Cl)cc(=O)n2[nH]1
InChIInChI=1S/C13H11ClN4O/c1-2-11-16-13-15-10(7-12(19)18(13)17-11)8-5-3-4-6-9(8)14/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyIWYIGPOEMPKZKE-UHFFFAOYSA-N
XLogP2.30
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(2-chlorophenyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 17147880) is 5-(2-chlorophenyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(2-chlorophenyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(2-chlorophenyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCc1nc2nc(-c3ccccc3Cl)cc(=O)n2[nH]1.
What is the InChIKey of 5-(2-chlorophenyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IWYIGPOEMPKZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-2-11-16-13-15-10(7-12(19)18(13)17-11)8-5-3-4-6-9(8)14/h3-7H,2H2,1H3,(H,15,16,17).
What are the key properties of 5-(2-chlorophenyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(2-chlorophenyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 274.71 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 17147880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).