6-(2-chloro-4,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C13H11ClN4 — CID 59805865

IUPAC6-(2-chloro-4,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)c(-c2cnc3ncnn3c2)cc1C
InChIInChI=1S/C13H11ClN4/c1-8-3-11(12(14)4-9(8)2)10-5-15-13-16-7-17-18(13)6-10/h3-7H,1-2H3
InChIKeyNGEIAUOAWNFZNU-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.06
Rot. Bonds1

About 6-(2-chloro-4,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

6-(2-chloro-4,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 59805865) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 6-(2-chloro-4,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(2-chloro-4,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID59805865
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name6-(2-chloro-4,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)c(-c2cnc3ncnn3c2)cc1C
InChIInChI=1S/C13H11ClN4/c1-8-3-11(12(14)4-9(8)2)10-5-15-13-16-7-17-18(13)6-10/h3-7H,1-2H3
InChIKeyNGEIAUOAWNFZNU-UHFFFAOYSA-N
XLogP3.06
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1476026
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 90095592
2-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1,3-benzothiazole
CID 155914050
2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-2-amine
CID 84767353
5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane
CID 90868321
5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid
CID 113319492
6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126436936
6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 66636284
6-(2-methylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 159341106
5-(2-chloro-5-fluoro-4-methylphenyl)-2-fluoropyridine
CID 170620232
2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine
CID 84767352
5-(2-chloro-4-cyclopropyl-5-methylphenyl)-N-methylpyrimidin-2-amine
CID 155967237

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(2-chloro-4,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 59805865) is 6-(2-chloro-4,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(2-chloro-4,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(2-chloro-4,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(Cl)c(-c2cnc3ncnn3c2)cc1C.
What is the InChIKey of 6-(2-chloro-4,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is NGEIAUOAWNFZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c1-8-3-11(12(14)4-9(8)2)10-5-15-13-16-7-17-18(13)6-10/h3-7H,1-2H3.
What are the key properties of 6-(2-chloro-4,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
6-(2-chloro-4,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 258.71 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 59805865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).