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

C12H13ClN4O — CID 116823904

IUPAC3-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-1,2,4-triazin-5-amine
SMILESCNc1cnnc(-c2cc(Cl)c(C)cc2OC)n1
InChIInChI=1S/C12H13ClN4O/c1-7-4-10(18-3)8(5-9(7)13)12-16-11(14-2)6-15-17-12/h4-6H,1-3H3,(H,14,16,17)
InChIKeyMIJHWQCQYJYVSH-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.55
Rot. Bonds3

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

3-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-1,2,4-triazin-5-amine (PubChem CID 116823904) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-1,2,4-triazin-5-amine
PubChem CID116823904
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name3-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-1,2,4-triazin-5-amine
SMILESCNc1cnnc(-c2cc(Cl)c(C)cc2OC)n1
InChIInChI=1S/C12H13ClN4O/c1-7-4-10(18-3)8(5-9(7)13)12-16-11(14-2)6-15-17-12/h4-6H,1-3H3,(H,14,16,17)
InChIKeyMIJHWQCQYJYVSH-UHFFFAOYSA-N
XLogP2.55
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-chloro-2-methoxy-4-methylphenyl)-N,1-dimethylpyrazol-3-amine
CID 116827428
6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine
CID 82303503
N-methyl-3-(6-methyl-1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine
CID 116823971
4-(5-chloro-2-methoxy-4-methylphenyl)-5-methylthiophen-2-amine
CID 82487478
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
8-chloro-5-methoxy-N,4-dimethylquinolin-2-amine
CID 84628644
5-chloro-3-(2,4-dimethoxyphenyl)-1,2,4-triazine
CID 116823727
4-(5-chloro-2-methoxy-4-methylphenyl)-2,6-dimethylpyrimidin-5-amine
CID 98021439
5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967183
1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
CID 144758840
N-(4-chloro-2-methoxy-5-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942174
5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-(2,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963288

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-1,2,4-triazin-5-amine?
The IUPAC name of 3-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-1,2,4-triazin-5-amine (CID 116823904) is 3-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-1,2,4-triazin-5-amine is CNc1cnnc(-c2cc(Cl)c(C)cc2OC)n1.
What is the InChIKey of 3-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-1,2,4-triazin-5-amine?
The InChIKey is MIJHWQCQYJYVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-7-4-10(18-3)8(5-9(7)13)12-16-11(14-2)6-15-17-12/h4-6H,1-3H3,(H,14,16,17).
What are the key properties of 3-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-1,2,4-triazin-5-amine?
3-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-1,2,4-triazin-5-amine has a molecular weight of 264.72 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).