6-(5-chloro-2-methoxy-3-methylphenyl)-1,2,4-triazin-5-amine

C11H11ClN4O — CID 116823026

IUPAC6-(5-chloro-2-methoxy-3-methylphenyl)-1,2,4-triazin-5-amine
SMILESCOc1c(C)cc(Cl)cc1-c1nncnc1N
InChIInChI=1S/C11H11ClN4O/c1-6-3-7(12)4-8(10(6)17-2)9-11(13)14-5-15-16-9/h3-5H,1-2H3,(H2,13,14,15)
InChIKeyHPGQCSKJYBDAJQ-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.09
Rot. Bonds2

About 6-(5-chloro-2-methoxy-3-methylphenyl)-1,2,4-triazin-5-amine

6-(5-chloro-2-methoxy-3-methylphenyl)-1,2,4-triazin-5-amine (PubChem CID 116823026) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxy-3-methylphenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(5-chloro-2-methoxy-3-methylphenyl)-1,2,4-triazin-5-amine
PubChem CID116823026
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name6-(5-chloro-2-methoxy-3-methylphenyl)-1,2,4-triazin-5-amine
SMILESCOc1c(C)cc(Cl)cc1-c1nncnc1N
InChIInChI=1S/C11H11ClN4O/c1-6-3-7(12)4-8(10(6)17-2)9-11(13)14-5-15-16-9/h3-5H,1-2H3,(H2,13,14,15)
InChIKeyHPGQCSKJYBDAJQ-UHFFFAOYSA-N
XLogP2.09
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(5-chloro-2-methoxy-3-methylphenyl)-1,2,4-triazin-5-amine 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-3,5-dimethylphenyl)-1,2,4-triazine
CID 116822930
5-(5-chloro-2-methoxy-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3570755
6-(2,5-dimethoxyphenyl)-1,2,4-triazin-5-amine
CID 116822972
4-bromo-3-(5-chloro-2-methoxy-3-methylphenyl)-5-methyl-1H-pyrazole
CID 116856682
[6-(5-chloro-2-methoxy-3-methylphenyl)pyridazin-3-yl]methanamine
CID 82303524
2-[3-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-yl]ethanamine
CID 82486872
[5-(5-chloro-2-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanethiol
CID 116879196
6-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine
CID 116822961
6-(4-methoxyphenyl)-1,2,4-triazin-5-amine
CID 116822966
5-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole
CID 116869044
5-chloro-6-(4-methoxy-2,5-dimethylphenyl)-1,2,4-triazine
CID 116822857
4-(5-chloro-2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole
CID 116967848

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxy-3-methylphenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 6-(5-chloro-2-methoxy-3-methylphenyl)-1,2,4-triazin-5-amine (CID 116823026) is 6-(5-chloro-2-methoxy-3-methylphenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(5-chloro-2-methoxy-3-methylphenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(5-chloro-2-methoxy-3-methylphenyl)-1,2,4-triazin-5-amine is COc1c(C)cc(Cl)cc1-c1nncnc1N.
What is the InChIKey of 6-(5-chloro-2-methoxy-3-methylphenyl)-1,2,4-triazin-5-amine?
The InChIKey is HPGQCSKJYBDAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-6-3-7(12)4-8(10(6)17-2)9-11(13)14-5-15-16-9/h3-5H,1-2H3,(H2,13,14,15).
What are the key properties of 6-(5-chloro-2-methoxy-3-methylphenyl)-1,2,4-triazin-5-amine?
6-(5-chloro-2-methoxy-3-methylphenyl)-1,2,4-triazin-5-amine has a molecular weight of 250.69 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxy-3-methylphenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).