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

C12H7Cl3N4O — CID 104616040

IUPAC5,7-dichloro-6-(2-chlorophenyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1nc2nc(Cl)c(-c3ccccc3Cl)c(Cl)n2n1
InChIInChI=1S/C12H7Cl3N4O/c1-20-12-17-11-16-9(14)8(10(15)19(11)18-12)6-4-2-3-5-7(6)13/h2-5H,1H3
InChIKeyACQQXCSFXDSVBF-UHFFFAOYSA-N
MW329.57 g/mol
LogP3.76
Rot. Bonds2

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

5,7-dichloro-6-(2-chlorophenyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 104616040) has the molecular formula C12H7Cl3N4O and a molecular weight of 329.57 g/mol. Its IUPAC name is 5,7-dichloro-6-(2-chlorophenyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-6-(2-chlorophenyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID104616040
Molecular FormulaC12H7Cl3N4O
Molecular Weight329.57 g/mol
Exact Mass327.97
IUPAC Name5,7-dichloro-6-(2-chlorophenyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1nc2nc(Cl)c(-c3ccccc3Cl)c(Cl)n2n1
InChIInChI=1S/C12H7Cl3N4O/c1-20-12-17-11-16-9(14)8(10(15)19(11)18-12)6-4-2-3-5-7(6)13/h2-5H,1H3
InChIKeyACQQXCSFXDSVBF-UHFFFAOYSA-N
XLogP3.76
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.57
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dichloro-2-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 104616048
5,7-dichloro-6-(2-chlorophenyl)-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 114514628
5,7-dichloro-6-(2-chlorophenyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidine
CID 104621709
5,7-dichloro-6-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine
CID 113433952
5,7-dichloro-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 86630680
5,7-dichloro-6-(3-chlorophenyl)-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine
CID 104818858
4,6-dichloro-5-(2-chlorophenyl)-2-(2-ethoxyethyl)pyrimidine
CID 106815035
4,6-dichloro-5-(2-chlorophenyl)-2-pentan-3-ylpyrimidine
CID 79439039
[5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-cyclopentylmethanone
CID 42727524
[5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone
CID 1061681
4,6-dichloro-5-(2-chlorophenyl)-2-(propylsulfanylmethyl)pyrimidine
CID 79439930
7-chloro-5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine
CID 83095318

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-(2-chlorophenyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-6-(2-chlorophenyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine (CID 104616040) is 5,7-dichloro-6-(2-chlorophenyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-6-(2-chlorophenyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-6-(2-chlorophenyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine is COc1nc2nc(Cl)c(-c3ccccc3Cl)c(Cl)n2n1.
What is the InChIKey of 5,7-dichloro-6-(2-chlorophenyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ACQQXCSFXDSVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N4O/c1-20-12-17-11-16-9(14)8(10(15)19(11)18-12)6-4-2-3-5-7(6)13/h2-5H,1H3.
What are the key properties of 5,7-dichloro-6-(2-chlorophenyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dichloro-6-(2-chlorophenyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 329.57 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-(2-chlorophenyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 104616040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).