5-ethyl-1-[(2-methylphenyl)methyl]triazol-4-amine

C12H16N4 — CID 79542133

IUPAC5-ethyl-1-[(2-methylphenyl)methyl]triazol-4-amine
SMILESCCc1c(N)nnn1Cc1ccccc1C
InChIInChI=1S/C12H16N4/c1-3-11-12(13)14-15-16(11)8-10-7-5-4-6-9(10)2/h4-7H,3,8,13H2,1-2H3
InChIKeyMXUGAASADYFLGZ-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.78
Rot. Bonds3

About 5-ethyl-1-[(2-methylphenyl)methyl]triazol-4-amine

5-ethyl-1-[(2-methylphenyl)methyl]triazol-4-amine (PubChem CID 79542133) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 5-ethyl-1-[(2-methylphenyl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-[(2-methylphenyl)methyl]triazol-4-amine
PubChem CID79542133
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name5-ethyl-1-[(2-methylphenyl)methyl]triazol-4-amine
SMILESCCc1c(N)nnn1Cc1ccccc1C
InChIInChI=1S/C12H16N4/c1-3-11-12(13)14-15-16(11)8-10-7-5-4-6-9(10)2/h4-7H,3,8,13H2,1-2H3
InChIKeyMXUGAASADYFLGZ-UHFFFAOYSA-N
XLogP1.78
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(2-methylphenyl)methyl]triazol-4-amine?
The IUPAC name of 5-ethyl-1-[(2-methylphenyl)methyl]triazol-4-amine (CID 79542133) is 5-ethyl-1-[(2-methylphenyl)methyl]triazol-4-amine.
What is the SMILES notation for 5-ethyl-1-[(2-methylphenyl)methyl]triazol-4-amine?
The canonical SMILES for 5-ethyl-1-[(2-methylphenyl)methyl]triazol-4-amine is CCc1c(N)nnn1Cc1ccccc1C.
What is the InChIKey of 5-ethyl-1-[(2-methylphenyl)methyl]triazol-4-amine?
The InChIKey is MXUGAASADYFLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-11-12(13)14-15-16(11)8-10-7-5-4-6-9(10)2/h4-7H,3,8,13H2,1-2H3.
What are the key properties of 5-ethyl-1-[(2-methylphenyl)methyl]triazol-4-amine?
5-ethyl-1-[(2-methylphenyl)methyl]triazol-4-amine has a molecular weight of 216.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(2-methylphenyl)methyl]triazol-4-amine is sourced from PubChem (CID 79542133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).