2-[4-(2-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine

C11H14N4 — CID 62694910

IUPAC2-[4-(2-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine
SMILESCn1ncnc1-c1ccc(CCN)cc1
InChIInChI=1S/C11H14N4/c1-15-11(13-8-14-15)10-4-2-9(3-5-10)6-7-12/h2-5,8H,6-7,12H2,1H3
InChIKeyGZFGBRDZOAINAK-UHFFFAOYSA-N
MW202.26 g/mol
LogP0.98
Rot. Bonds3

About 2-[4-(2-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine

2-[4-(2-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine (PubChem CID 62694910) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[4-(2-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine
PubChem CID62694910
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-[4-(2-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine
SMILESCn1ncnc1-c1ccc(CCN)cc1
InChIInChI=1S/C11H14N4/c1-15-11(13-8-14-15)10-4-2-9(3-5-10)6-7-12/h2-5,8H,6-7,12H2,1H3
InChIKeyGZFGBRDZOAINAK-UHFFFAOYSA-N
XLogP0.98
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-aminoethyl)phenyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 116577742
methanamine;2-(4-methylphenyl)ethanamine
CID 144589082
2-[4-(4-fluoro-1-methylbenzimidazol-2-yl)phenyl]ethanamine
CID 60784916
2-[4-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]phenyl]ethanamine
CID 162637660
formaldehyde;2-(4-methylphenyl)ethanamine
CID 142897602
2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
2-[4-(2,6-dimethylphenyl)phenyl]ethanamine
CID 82038957
2-[4-(5-methyl-1,3-oxazol-4-yl)phenyl]ethanamine
CID 105454401
4-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)aniline
CID 62696052
2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanamine
CID 82469844
2-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 63817285

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-(2-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine (CID 62694910) is 2-[4-(2-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(2-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(2-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine is Cn1ncnc1-c1ccc(CCN)cc1.
What is the InChIKey of 2-[4-(2-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine?
The InChIKey is GZFGBRDZOAINAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-15-11(13-8-14-15)10-4-2-9(3-5-10)6-7-12/h2-5,8H,6-7,12H2,1H3.
What are the key properties of 2-[4-(2-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine?
2-[4-(2-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine has a molecular weight of 202.26 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine is sourced from PubChem (CID 62694910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).