2-[3-(5,6-dimethyl-1,2,4-triazin-3-yl)phenoxy]ethanamine

C13H16N4O — CID 82478568

IUPAC2-[3-(5,6-dimethyl-1,2,4-triazin-3-yl)phenoxy]ethanamine
SMILESCc1nnc(-c2cccc(OCCN)c2)nc1C
InChIInChI=1S/C13H16N4O/c1-9-10(2)16-17-13(15-9)11-4-3-5-12(8-11)18-7-6-14/h3-5,8H,6-7,14H2,1-2H3
InChIKeyMYTVBKNWRYGHOM-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.49
Rot. Bonds4

About 2-[3-(5,6-dimethyl-1,2,4-triazin-3-yl)phenoxy]ethanamine

2-[3-(5,6-dimethyl-1,2,4-triazin-3-yl)phenoxy]ethanamine (PubChem CID 82478568) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[3-(5,6-dimethyl-1,2,4-triazin-3-yl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[3-(5,6-dimethyl-1,2,4-triazin-3-yl)phenoxy]ethanamine
PubChem CID82478568
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-[3-(5,6-dimethyl-1,2,4-triazin-3-yl)phenoxy]ethanamine
SMILESCc1nnc(-c2cccc(OCCN)c2)nc1C
InChIInChI=1S/C13H16N4O/c1-9-10(2)16-17-13(15-9)11-4-3-5-12(8-11)18-7-6-14/h3-5,8H,6-7,14H2,1-2H3
InChIKeyMYTVBKNWRYGHOM-UHFFFAOYSA-N
XLogP1.49
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114787066
5-iodo-6-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine
CID 66296695
2-[3-(4-methyl-1,2,4-triazol-3-yl)phenoxy]ethanamine
CID 82472180
[2-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 62746307
N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine
CID 63121057
2-[3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenoxy]ethanamine
CID 96663966
5-[3-(2-aminoethoxy)phenyl]pyrimidine-2,4-diamine
CID 22607574
3-[3-(2-(18F)fluoroethoxy)phenyl]-1,2,4,5-tetrazine
CID 176800053
ethane;ethene;2-(3-methylphenoxy)ethanamine;molecular hydrogen
CID 170739298
2-methyl-6-(3-propoxyphenyl)pyridin-3-amine
CID 82467694
2-[3-(3-methylbutoxy)phenoxy]ethanamine
CID 25256004
2-[3-(tetrazol-1-yl)phenoxy]ethanamine
CID 45157260

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5,6-dimethyl-1,2,4-triazin-3-yl)phenoxy]ethanamine?
The IUPAC name of 2-[3-(5,6-dimethyl-1,2,4-triazin-3-yl)phenoxy]ethanamine (CID 82478568) is 2-[3-(5,6-dimethyl-1,2,4-triazin-3-yl)phenoxy]ethanamine.
What is the SMILES notation for 2-[3-(5,6-dimethyl-1,2,4-triazin-3-yl)phenoxy]ethanamine?
The canonical SMILES for 2-[3-(5,6-dimethyl-1,2,4-triazin-3-yl)phenoxy]ethanamine is Cc1nnc(-c2cccc(OCCN)c2)nc1C.
What is the InChIKey of 2-[3-(5,6-dimethyl-1,2,4-triazin-3-yl)phenoxy]ethanamine?
The InChIKey is MYTVBKNWRYGHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-10(2)16-17-13(15-9)11-4-3-5-12(8-11)18-7-6-14/h3-5,8H,6-7,14H2,1-2H3.
What are the key properties of 2-[3-(5,6-dimethyl-1,2,4-triazin-3-yl)phenoxy]ethanamine?
2-[3-(5,6-dimethyl-1,2,4-triazin-3-yl)phenoxy]ethanamine has a molecular weight of 244.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5,6-dimethyl-1,2,4-triazin-3-yl)phenoxy]ethanamine is sourced from PubChem (CID 82478568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).