6-(3-ethyl-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine

C14H18N4O — CID 116823593

IUPAC6-(3-ethyl-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
SMILESCCc1cc(-c2nnc(C)nc2NC)ccc1OC
InChIInChI=1S/C14H18N4O/c1-5-10-8-11(6-7-12(10)19-4)13-14(15-3)16-9(2)17-18-13/h6-8H,5H2,1-4H3,(H,15,16,17)
InChIKeyVPRXOQNWONOMOF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.46
Rot. Bonds4

About 6-(3-ethyl-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine

6-(3-ethyl-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine (PubChem CID 116823593) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-(3-ethyl-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(3-ethyl-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
PubChem CID116823593
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name6-(3-ethyl-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
SMILESCCc1cc(-c2nnc(C)nc2NC)ccc1OC
InChIInChI=1S/C14H18N4O/c1-5-10-8-11(6-7-12(10)19-4)13-14(15-3)16-9(2)17-18-13/h6-8H,5H2,1-4H3,(H,15,16,17)
InChIKeyVPRXOQNWONOMOF-UHFFFAOYSA-N
XLogP2.46
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-ethyl-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827233
2-(3-ethyl-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-ol
CID 116886049
4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole
CID 116967837
6-(4-chloro-3-methoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine
CID 79712175
5-chloro-6-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazine
CID 116823316
2-[4-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3893486
2-(aminomethyl)-4-(3-ethyl-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 96669115
[6-(3-ethyl-4-methoxyphenyl)pyridazin-3-yl]cyanamide
CID 116971727
[5-(3-ethyl-4-methoxyphenyl)-1H-imidazol-2-yl]methanol
CID 116878283
4-(3-ethyl-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82082412
5-(3-ethyl-4-methoxyphenyl)pyrimidin-4-amine
CID 82288448
5-chloro-3-ethyl-8-methoxy-N-methylquinolin-2-amine
CID 63232251

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine?
The IUPAC name of 6-(3-ethyl-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine (CID 116823593) is 6-(3-ethyl-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(3-ethyl-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(3-ethyl-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine is CCc1cc(-c2nnc(C)nc2NC)ccc1OC.
What is the InChIKey of 6-(3-ethyl-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine?
The InChIKey is VPRXOQNWONOMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-5-10-8-11(6-7-12(10)19-4)13-14(15-3)16-9(2)17-18-13/h6-8H,5H2,1-4H3,(H,15,16,17).
What are the key properties of 6-(3-ethyl-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine?
6-(3-ethyl-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine has a molecular weight of 258.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).