5-(4-ethoxy-2,5-dimethylphenyl)-1,2,4-triazin-3-amine

C13H16N4O — CID 82478515

IUPAC5-(4-ethoxy-2,5-dimethylphenyl)-1,2,4-triazin-3-amine
SMILESCCOc1cc(C)c(-c2cnnc(N)n2)cc1C
InChIInChI=1S/C13H16N4O/c1-4-18-12-6-8(2)10(5-9(12)3)11-7-15-17-13(14)16-11/h5-7H,4H2,1-3H3,(H2,14,16,17)
InChIKeyORALIMVSBKXIJE-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.14
Rot. Bonds3

About 5-(4-ethoxy-2,5-dimethylphenyl)-1,2,4-triazin-3-amine

5-(4-ethoxy-2,5-dimethylphenyl)-1,2,4-triazin-3-amine (PubChem CID 82478515) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-(4-ethoxy-2,5-dimethylphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-ethoxy-2,5-dimethylphenyl)-1,2,4-triazin-3-amine
PubChem CID82478515
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-(4-ethoxy-2,5-dimethylphenyl)-1,2,4-triazin-3-amine
SMILESCCOc1cc(C)c(-c2cnnc(N)n2)cc1C
InChIInChI=1S/C13H16N4O/c1-4-18-12-6-8(2)10(5-9(12)3)11-7-15-17-13(14)16-11/h5-7H,4H2,1-3H3,(H2,14,16,17)
InChIKeyORALIMVSBKXIJE-UHFFFAOYSA-N
XLogP2.14
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethoxy-2,5-dimethylphenyl)imidazole-1,2-diamine
CID 82295331
[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine
CID 3941656
1-[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4309550
[5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 82360109
5-(5-fluoro-2-methoxyphenyl)-1,2,4-triazin-3-amine
CID 82392808
2-[5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 82360147
2-[4-(4-ethoxy-2,5-dimethylphenyl)imidazol-1-yl]acetic acid
CID 82306962
4-(5-chloro-4-ethoxy-2-methylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 98022071
2-(5-chloro-4-ethoxy-2-methylphenyl)pyrimidin-5-amine
CID 82303511
5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine
CID 68627887
1-ethoxy-4-ethyl-2,5-dimethylbenzene
CID 84761080
4-(4-ethoxy-2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 82489030

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxy-2,5-dimethylphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-ethoxy-2,5-dimethylphenyl)-1,2,4-triazin-3-amine (CID 82478515) is 5-(4-ethoxy-2,5-dimethylphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-ethoxy-2,5-dimethylphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-ethoxy-2,5-dimethylphenyl)-1,2,4-triazin-3-amine is CCOc1cc(C)c(-c2cnnc(N)n2)cc1C.
What is the InChIKey of 5-(4-ethoxy-2,5-dimethylphenyl)-1,2,4-triazin-3-amine?
The InChIKey is ORALIMVSBKXIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-4-18-12-6-8(2)10(5-9(12)3)11-7-15-17-13(14)16-11/h5-7H,4H2,1-3H3,(H2,14,16,17).
What are the key properties of 5-(4-ethoxy-2,5-dimethylphenyl)-1,2,4-triazin-3-amine?
5-(4-ethoxy-2,5-dimethylphenyl)-1,2,4-triazin-3-amine has a molecular weight of 244.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxy-2,5-dimethylphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 82478515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).