2-[1-(4-ethyl-3-methylphenyl)triazol-4-yl]ethanamine

C13H18N4 — CID 114250514

IUPAC2-[1-(4-ethyl-3-methylphenyl)triazol-4-yl]ethanamine
SMILESCCc1ccc(-n2cc(CCN)nn2)cc1C
InChIInChI=1S/C13H18N4/c1-3-11-4-5-13(8-10(11)2)17-9-12(6-7-14)15-16-17/h4-5,8-9H,3,6-7,14H2,1-2H3
InChIKeyMKWLKVOELUHFJJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.64
Rot. Bonds4

About 2-[1-(4-ethyl-3-methylphenyl)triazol-4-yl]ethanamine

2-[1-(4-ethyl-3-methylphenyl)triazol-4-yl]ethanamine (PubChem CID 114250514) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[1-(4-ethyl-3-methylphenyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-ethyl-3-methylphenyl)triazol-4-yl]ethanamine
PubChem CID114250514
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-[1-(4-ethyl-3-methylphenyl)triazol-4-yl]ethanamine
SMILESCCc1ccc(-n2cc(CCN)nn2)cc1C
InChIInChI=1S/C13H18N4/c1-3-11-4-5-13(8-10(11)2)17-9-12(6-7-14)15-16-17/h4-5,8-9H,3,6-7,14H2,1-2H3
InChIKeyMKWLKVOELUHFJJ-UHFFFAOYSA-N
XLogP1.64
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-methyl-3-nitrophenyl)triazol-4-yl]ethanamine
CID 116641573
4-[1-(4-bromo-3-methylphenyl)triazol-4-yl]butan-1-amine
CID 113424666
2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol
CID 62399390
2-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanamine
CID 116641612
3-[1-(3-iodo-4-methylphenyl)triazol-4-yl]propan-1-amine
CID 114257945
2-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]ethanamine
CID 116641627
2-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]ethanamine
CID 116641620
3-[1-[4-methyl-3-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-amine
CID 106220554
3-[1-(3,4-dimethylphenyl)triazol-4-yl]propan-1-ol
CID 113374462
2-[1-(4-bromo-3-nitrophenyl)triazol-4-yl]ethanamine
CID 116641621
2-[1-(3,4,5-trifluorophenyl)triazol-4-yl]ethanamine
CID 116641604
1-amino-4-[1-(4-bromo-3-methylphenyl)triazol-4-yl]butan-2-ol
CID 167898746

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethyl-3-methylphenyl)triazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(4-ethyl-3-methylphenyl)triazol-4-yl]ethanamine (CID 114250514) is 2-[1-(4-ethyl-3-methylphenyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-ethyl-3-methylphenyl)triazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(4-ethyl-3-methylphenyl)triazol-4-yl]ethanamine is CCc1ccc(-n2cc(CCN)nn2)cc1C.
What is the InChIKey of 2-[1-(4-ethyl-3-methylphenyl)triazol-4-yl]ethanamine?
The InChIKey is MKWLKVOELUHFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-11-4-5-13(8-10(11)2)17-9-12(6-7-14)15-16-17/h4-5,8-9H,3,6-7,14H2,1-2H3.
What are the key properties of 2-[1-(4-ethyl-3-methylphenyl)triazol-4-yl]ethanamine?
2-[1-(4-ethyl-3-methylphenyl)triazol-4-yl]ethanamine has a molecular weight of 230.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethyl-3-methylphenyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 114250514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).