5-chloro-3-(2,4-dimethoxyphenyl)-1,2,4-triazine

C11H10ClN3O2 — CID 116823727

IUPAC5-chloro-3-(2,4-dimethoxyphenyl)-1,2,4-triazine
SMILESCOc1ccc(-c2nncc(Cl)n2)c(OC)c1
InChIInChI=1S/C11H10ClN3O2/c1-16-7-3-4-8(9(5-7)17-2)11-14-10(12)6-13-15-11/h3-6H,1-2H3
InChIKeyVIXQQQIODNWEJR-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.21
Rot. Bonds3

About 5-chloro-3-(2,4-dimethoxyphenyl)-1,2,4-triazine

5-chloro-3-(2,4-dimethoxyphenyl)-1,2,4-triazine (PubChem CID 116823727) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 5-chloro-3-(2,4-dimethoxyphenyl)-1,2,4-triazine.

Molecular Properties

Compound Name5-chloro-3-(2,4-dimethoxyphenyl)-1,2,4-triazine
PubChem CID116823727
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name5-chloro-3-(2,4-dimethoxyphenyl)-1,2,4-triazine
SMILESCOc1ccc(-c2nncc(Cl)n2)c(OC)c1
InChIInChI=1S/C11H10ClN3O2/c1-16-7-3-4-8(9(5-7)17-2)11-14-10(12)6-13-15-11/h3-6H,1-2H3
InChIKeyVIXQQQIODNWEJR-UHFFFAOYSA-N
XLogP2.21
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-(2-methoxyphenyl)-1,2,4-triazine
CID 116823799
4-chloro-2-(2,4-dimethoxyphenyl)-6-propylpyrimidine
CID 43557702
3-(2,4-dimethoxyphenyl)-4,5-dimethylpyridazine
CID 157011684
5-(2,4-dimethoxyphenyl)-2H-tetrazole
CID 82077250
4-chloro-2-(2,4-dimethoxyphenyl)-6-ethyl-5-methylpyrimidine
CID 63549144
4-chloro-2-(2,5-dimethoxyphenyl)pyrimidine
CID 43654737
3-(2,4-dimethoxyphenyl)pyridazine
CID 90984808
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
6-chloro-3-(2,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine
CID 45141537
2-chloro-5-(2,4-dimethoxyphenyl)pyridine-4-carboxylic acid
CID 53223746
3-chloro-7-methoxyisoquinoline
CID 53425565
3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527886

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2,4-dimethoxyphenyl)-1,2,4-triazine?
The IUPAC name of 5-chloro-3-(2,4-dimethoxyphenyl)-1,2,4-triazine (CID 116823727) is 5-chloro-3-(2,4-dimethoxyphenyl)-1,2,4-triazine.
What is the SMILES notation for 5-chloro-3-(2,4-dimethoxyphenyl)-1,2,4-triazine?
The canonical SMILES for 5-chloro-3-(2,4-dimethoxyphenyl)-1,2,4-triazine is COc1ccc(-c2nncc(Cl)n2)c(OC)c1.
What is the InChIKey of 5-chloro-3-(2,4-dimethoxyphenyl)-1,2,4-triazine?
The InChIKey is VIXQQQIODNWEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-16-7-3-4-8(9(5-7)17-2)11-14-10(12)6-13-15-11/h3-6H,1-2H3.
What are the key properties of 5-chloro-3-(2,4-dimethoxyphenyl)-1,2,4-triazine?
5-chloro-3-(2,4-dimethoxyphenyl)-1,2,4-triazine has a molecular weight of 251.67 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2,4-dimethoxyphenyl)-1,2,4-triazine is sourced from PubChem (CID 116823727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).