[2-ethyl-6-(triazol-1-yl)phenyl]methanamine

C11H14N4 — CID 84670792

IUPAC[2-ethyl-6-(triazol-1-yl)phenyl]methanamine
SMILESCCc1cccc(-n2ccnn2)c1CN
InChIInChI=1S/C11H14N4/c1-2-9-4-3-5-11(10(9)8-12)15-7-6-13-14-15/h3-7H,2,8,12H2,1H3
InChIKeyOWGJYYFKJPTLLZ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.29
Rot. Bonds3

About [2-ethyl-6-(triazol-1-yl)phenyl]methanamine

[2-ethyl-6-(triazol-1-yl)phenyl]methanamine (PubChem CID 84670792) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is [2-ethyl-6-(triazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-ethyl-6-(triazol-1-yl)phenyl]methanamine
PubChem CID84670792
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name[2-ethyl-6-(triazol-1-yl)phenyl]methanamine
SMILESCCc1cccc(-n2ccnn2)c1CN
InChIInChI=1S/C11H14N4/c1-2-9-4-3-5-11(10(9)8-12)15-7-6-13-14-15/h3-7H,2,8,12H2,1H3
InChIKeyOWGJYYFKJPTLLZ-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(chloromethyl)phenyl]triazole
CID 140640955
O-[[2-(triazol-1-yl)phenyl]methyl]hydroxylamine
CID 117281796
3-ethyl-4-(triazol-1-yl)benzoic acid
CID 84682606
(2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide
CID 79025471
3-ethyl-6-methyl-5-(triazol-1-yl)-1H-pyridin-2-one
CID 11708270
2-ethyl-5-(triazol-1-yl)aniline
CID 174620825
2-(aminomethyl)-3-ethylphenol
CID 21467751
copper;1-(2-methylphenyl)triazole
CID 141369525
3-(triazol-1-yl)pyridin-2-amine
CID 84651207
(2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide
CID 54991404
1-[[2-(triazol-1-yl)phenyl]methyl]cyclopropan-1-ol
CID 117306788
2-ethyl-6-imidazol-1-ylaniline
CID 84661065

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-6-(triazol-1-yl)phenyl]methanamine?
The IUPAC name of [2-ethyl-6-(triazol-1-yl)phenyl]methanamine (CID 84670792) is [2-ethyl-6-(triazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-ethyl-6-(triazol-1-yl)phenyl]methanamine?
The canonical SMILES for [2-ethyl-6-(triazol-1-yl)phenyl]methanamine is CCc1cccc(-n2ccnn2)c1CN.
What is the InChIKey of [2-ethyl-6-(triazol-1-yl)phenyl]methanamine?
The InChIKey is OWGJYYFKJPTLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-9-4-3-5-11(10(9)8-12)15-7-6-13-14-15/h3-7H,2,8,12H2,1H3.
What are the key properties of [2-ethyl-6-(triazol-1-yl)phenyl]methanamine?
[2-ethyl-6-(triazol-1-yl)phenyl]methanamine has a molecular weight of 202.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-6-(triazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 84670792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).