5-chloro-6-(4-methoxy-3,5-dimethylphenyl)-1,2,4-triazine

C12H12ClN3O — CID 116822930

IUPAC5-chloro-6-(4-methoxy-3,5-dimethylphenyl)-1,2,4-triazine
SMILESCOc1c(C)cc(-c2nncnc2Cl)cc1C
InChIInChI=1S/C12H12ClN3O/c1-7-4-9(5-8(2)11(7)17-3)10-12(13)14-6-15-16-10/h4-6H,1-3H3
InChIKeyGYHRPRZNXPBLDN-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.82
Rot. Bonds2

About 5-chloro-6-(4-methoxy-3,5-dimethylphenyl)-1,2,4-triazine

5-chloro-6-(4-methoxy-3,5-dimethylphenyl)-1,2,4-triazine (PubChem CID 116822930) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 5-chloro-6-(4-methoxy-3,5-dimethylphenyl)-1,2,4-triazine.

Molecular Properties

Compound Name5-chloro-6-(4-methoxy-3,5-dimethylphenyl)-1,2,4-triazine
PubChem CID116822930
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name5-chloro-6-(4-methoxy-3,5-dimethylphenyl)-1,2,4-triazine
SMILESCOc1c(C)cc(-c2nncnc2Cl)cc1C
InChIInChI=1S/C12H12ClN3O/c1-7-4-9(5-8(2)11(7)17-3)10-12(13)14-6-15-16-10/h4-6H,1-3H3
InChIKeyGYHRPRZNXPBLDN-UHFFFAOYSA-N
XLogP2.82
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-6-(4-methoxy-3,5-dimethylphenyl)-1,2,4-triazine 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

5-chloro-6-(4-methoxy-2,5-dimethylphenyl)-1,2,4-triazine
CID 116822857
6-(5-chloro-2-methoxy-3-methylphenyl)-1,2,4-triazin-5-amine
CID 116823026
4-chloro-6-(3,5-dichlorophenyl)-5-methoxypyrimidine
CID 114879214
4,6-dichloro-5-methoxypyrimidine;ethane
CID 144589632
5-(5-chloro-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one
CID 116822901
4-chloro-5-methoxy-6-(2-methoxy-3,4-dimethylphenyl)pyrimidine
CID 103434429
4-(4-methoxy-3,5-dimethylphenyl)pyrimidine-2-carboxamide
CID 116904079
5-(4-methoxy-3,5-dimethylphenyl)-2-methyltetrazole
CID 14981819
5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 67236110
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
6-chloro-5-methoxypyrimidine-4-carbaldehyde
CID 126603921
4-(4-methoxy-3,5-dimethylphenyl)-2H-phthalazin-1-one
CID 83046007

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(4-methoxy-3,5-dimethylphenyl)-1,2,4-triazine?
The IUPAC name of 5-chloro-6-(4-methoxy-3,5-dimethylphenyl)-1,2,4-triazine (CID 116822930) is 5-chloro-6-(4-methoxy-3,5-dimethylphenyl)-1,2,4-triazine.
What is the SMILES notation for 5-chloro-6-(4-methoxy-3,5-dimethylphenyl)-1,2,4-triazine?
The canonical SMILES for 5-chloro-6-(4-methoxy-3,5-dimethylphenyl)-1,2,4-triazine is COc1c(C)cc(-c2nncnc2Cl)cc1C.
What is the InChIKey of 5-chloro-6-(4-methoxy-3,5-dimethylphenyl)-1,2,4-triazine?
The InChIKey is GYHRPRZNXPBLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-7-4-9(5-8(2)11(7)17-3)10-12(13)14-6-15-16-10/h4-6H,1-3H3.
What are the key properties of 5-chloro-6-(4-methoxy-3,5-dimethylphenyl)-1,2,4-triazine?
5-chloro-6-(4-methoxy-3,5-dimethylphenyl)-1,2,4-triazine has a molecular weight of 249.70 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(4-methoxy-3,5-dimethylphenyl)-1,2,4-triazine is sourced from PubChem (CID 116822930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).