5-chloro-7-(3,5-dimethylphenoxy)-[1,2,4]triazolo[1,5-a]pyrimidine

C13H11ClN4O — CID 102918100

IUPAC5-chloro-7-(3,5-dimethylphenoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)cc(Oc2cc(Cl)nc3ncnn23)c1
InChIInChI=1S/C13H11ClN4O/c1-8-3-9(2)5-10(4-8)19-12-6-11(14)17-13-15-7-16-18(12)13/h3-7H,1-2H3
InChIKeyLKZXNPQOCULZOF-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.19
Rot. Bonds2

About 5-chloro-7-(3,5-dimethylphenoxy)-[1,2,4]triazolo[1,5-a]pyrimidine

5-chloro-7-(3,5-dimethylphenoxy)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 102918100) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 5-chloro-7-(3,5-dimethylphenoxy)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-(3,5-dimethylphenoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID102918100
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name5-chloro-7-(3,5-dimethylphenoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)cc(Oc2cc(Cl)nc3ncnn23)c1
InChIInChI=1S/C13H11ClN4O/c1-8-3-9(2)5-10(4-8)19-12-6-11(14)17-13-15-7-16-18(12)13/h3-7H,1-2H3
InChIKeyLKZXNPQOCULZOF-UHFFFAOYSA-N
XLogP3.19
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-7-(3,5-dimethylphenoxy)-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

7-(3-bromo-5-fluorophenoxy)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918207
5-chloro-7-(2-methyl-5-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918147
5-chloro-7-(4,4,4-trifluorobutoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918218
5-chloro-7-(2-piperidin-1-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918153
7-(2,4-dichlorophenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 18100702
5-chloro-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918666
ethyl 5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate
CID 14850356
5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918512
5-chloro-N-cyclobutyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919185
5-chloro-7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919316
3-chloro-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]aniline
CID 107718000
5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918526

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(3,5-dimethylphenoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-7-(3,5-dimethylphenoxy)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 102918100) is 5-chloro-7-(3,5-dimethylphenoxy)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-7-(3,5-dimethylphenoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-7-(3,5-dimethylphenoxy)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)cc(Oc2cc(Cl)nc3ncnn23)c1.
What is the InChIKey of 5-chloro-7-(3,5-dimethylphenoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is LKZXNPQOCULZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-8-3-9(2)5-10(4-8)19-12-6-11(14)17-13-15-7-16-18(12)13/h3-7H,1-2H3.
What are the key properties of 5-chloro-7-(3,5-dimethylphenoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-7-(3,5-dimethylphenoxy)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 274.71 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(3,5-dimethylphenoxy)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 102918100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).