6-(4-ethoxyphenyl)-1,2,4-triazin-5-amine

C11H12N4O — CID 116822998

IUPAC6-(4-ethoxyphenyl)-1,2,4-triazin-5-amine
SMILESCCOc1ccc(-c2nncnc2N)cc1
InChIInChI=1S/C11H12N4O/c1-2-16-9-5-3-8(4-6-9)10-11(12)13-7-14-15-10/h3-7H,2H2,1H3,(H2,12,13,14)
InChIKeyFSLHLZSIHRAEOO-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.52
Rot. Bonds3

About 6-(4-ethoxyphenyl)-1,2,4-triazin-5-amine

6-(4-ethoxyphenyl)-1,2,4-triazin-5-amine (PubChem CID 116822998) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-1,2,4-triazin-5-amine
PubChem CID116822998
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name6-(4-ethoxyphenyl)-1,2,4-triazin-5-amine
SMILESCCOc1ccc(-c2nncnc2N)cc1
InChIInChI=1S/C11H12N4O/c1-2-16-9-5-3-8(4-6-9)10-11(12)13-7-14-15-10/h3-7H,2H2,1H3,(H2,12,13,14)
InChIKeyFSLHLZSIHRAEOO-UHFFFAOYSA-N
XLogP1.52
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methoxyphenyl)-1,2,4-triazin-5-amine
CID 116822966
6-(4-fluorophenyl)-1,2,4-triazin-5-amine
CID 116822964
3-(4-ethoxyphenyl)-1,2,4,5-tetrazine
CID 172602798
6-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine
CID 116822961
3,5-dichloro-6-(4-ethoxyphenyl)pyridin-2-amine
CID 102752955
6-(3-methoxyphenyl)-1,2,4-triazin-5-amine
CID 116823084
6-(4-ethoxyphenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80975228
5-(4-ethoxyphenyl)-3-methylimidazol-4-amine
CID 62018469
2-(4-ethoxyphenyl)-5,6-dimethylpyrimidin-4-amine
CID 55045308
5-chloro-4-(4-ethoxyphenyl)-1H-imidazol-2-amine
CID 12733709
4-(4-ethoxyphenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 90488473
3-(4-ethoxyphenyl)-1-propan-2-ylpyrazol-4-amine
CID 83222885

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 6-(4-ethoxyphenyl)-1,2,4-triazin-5-amine (CID 116822998) is 6-(4-ethoxyphenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(4-ethoxyphenyl)-1,2,4-triazin-5-amine is CCOc1ccc(-c2nncnc2N)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-1,2,4-triazin-5-amine?
The InChIKey is FSLHLZSIHRAEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-2-16-9-5-3-8(4-6-9)10-11(12)13-7-14-15-10/h3-7H,2H2,1H3,(H2,12,13,14).
What are the key properties of 6-(4-ethoxyphenyl)-1,2,4-triazin-5-amine?
6-(4-ethoxyphenyl)-1,2,4-triazin-5-amine has a molecular weight of 216.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 116822998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).