5,7-dichloro-2-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C13H10Cl2N4O — CID 104616048

IUPAC5,7-dichloro-2-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1nc2nc(Cl)c(-c3ccc(C)cc3)c(Cl)n2n1
InChIInChI=1S/C13H10Cl2N4O/c1-7-3-5-8(6-4-7)9-10(14)16-12-17-13(20-2)18-19(12)11(9)15/h3-6H,1-2H3
InChIKeyCNNIONKXJXWLLO-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.42
Rot. Bonds2

About 5,7-dichloro-2-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dichloro-2-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 104616048) has the molecular formula C13H10Cl2N4O and a molecular weight of 309.16 g/mol. Its IUPAC name is 5,7-dichloro-2-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-2-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID104616048
Molecular FormulaC13H10Cl2N4O
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name5,7-dichloro-2-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1nc2nc(Cl)c(-c3ccc(C)cc3)c(Cl)n2n1
InChIInChI=1S/C13H10Cl2N4O/c1-7-3-5-8(6-4-7)9-10(14)16-12-17-13(20-2)18-19(12)11(9)15/h3-6H,1-2H3
InChIKeyCNNIONKXJXWLLO-UHFFFAOYSA-N
XLogP3.42
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dichloro-6-(2-chlorophenyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine
CID 104616040
5,7-dichloro-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 86630680
5,7-dichloro-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 104616021
5,7-dichloro-6-phenyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 86630670
5,7-dichloro-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 114514531
5,7-dichloro-6-(4-fluorophenyl)-3-iodo-2-methylpyrazolo[1,5-a]pyrimidine
CID 114514733
4-chloro-5-(3,5-dimethylphenyl)-2,6-dimethoxypyrimidine
CID 23730594
7-chloro-5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine
CID 83095318
5,7-dichloro-6-phenyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 104621648
7-chloro-2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidine
CID 82274571
6-chloro-3-(4-methoxyphenyl)-7-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 139227350
2,5-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine
CID 67650359

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-2-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 104616048) is 5,7-dichloro-2-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-2-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-2-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is COc1nc2nc(Cl)c(-c3ccc(C)cc3)c(Cl)n2n1.
What is the InChIKey of 5,7-dichloro-2-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is CNNIONKXJXWLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4O/c1-7-3-5-8(6-4-7)9-10(14)16-12-17-13(20-2)18-19(12)11(9)15/h3-6H,1-2H3.
What are the key properties of 5,7-dichloro-2-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dichloro-2-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 309.16 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 104616048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).