7-(2,4-dimethylphenyl)sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C14H14N4S — CID 18191294

IUPAC7-(2,4-dimethylphenyl)sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc(Sc2cc(C)nc3ncnn23)c(C)c1
InChIInChI=1S/C14H14N4S/c1-9-4-5-12(10(2)6-9)19-13-7-11(3)17-14-15-8-16-18(13)14/h4-8H,1-3H3
InChIKeyQDKNXOHVESWTAG-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.20
Rot. Bonds2

About 7-(2,4-dimethylphenyl)sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-(2,4-dimethylphenyl)sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 18191294) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 7-(2,4-dimethylphenyl)sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2,4-dimethylphenyl)sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID18191294
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name7-(2,4-dimethylphenyl)sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc(Sc2cc(C)nc3ncnn23)c(C)c1
InChIInChI=1S/C14H14N4S/c1-9-4-5-12(10(2)6-9)19-13-7-11(3)17-14-15-8-16-18(13)14/h4-8H,1-3H3
InChIKeyQDKNXOHVESWTAG-UHFFFAOYSA-N
XLogP3.20
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dimethylphenyl)sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2,4-dimethylphenyl)sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 18191294) is 7-(2,4-dimethylphenyl)sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2,4-dimethylphenyl)sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2,4-dimethylphenyl)sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1ccc(Sc2cc(C)nc3ncnn23)c(C)c1.
What is the InChIKey of 7-(2,4-dimethylphenyl)sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QDKNXOHVESWTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-9-4-5-12(10(2)6-9)19-13-7-11(3)17-14-15-8-16-18(13)14/h4-8H,1-3H3.
What are the key properties of 7-(2,4-dimethylphenyl)sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(2,4-dimethylphenyl)sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 270.36 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dimethylphenyl)sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 18191294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).