2-[3-(4-tert-butyl-2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine

C15H22N4 — CID 82483721

IUPAC2-[3-(4-tert-butyl-2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
SMILESCc1cc(C(C)(C)C)ccc1-c1n[nH]c(CCN)n1
InChIInChI=1S/C15H22N4/c1-10-9-11(15(2,3)4)5-6-12(10)14-17-13(7-8-16)18-19-14/h5-6,9H,7-8,16H2,1-4H3,(H,17,18,19)
InChIKeyNOZDSFANRCKZMU-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.58
Rot. Bonds3

About 2-[3-(4-tert-butyl-2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine

2-[3-(4-tert-butyl-2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine (PubChem CID 82483721) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[3-(4-tert-butyl-2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-tert-butyl-2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
PubChem CID82483721
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-[3-(4-tert-butyl-2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
SMILESCc1cc(C(C)(C)C)ccc1-c1n[nH]c(CCN)n1
InChIInChI=1S/C15H22N4/c1-10-9-11(15(2,3)4)5-6-12(10)14-17-13(7-8-16)18-19-14/h5-6,9H,7-8,16H2,1-4H3,(H,17,18,19)
InChIKeyNOZDSFANRCKZMU-UHFFFAOYSA-N
XLogP2.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 103083999
2-[3-(5-tert-butyl-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 96669762
2-[3-(4-methoxy-2,3,5-trimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 82484722
2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)ethanamine
CID 62952070
2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82300135
2-[3-(2-methoxy-4,6-dimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 82479526
[3-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol
CID 103084180
2-[3-(3,4-difluorophenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 56773382
2-[5-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethanamine
CID 62951887
2-(5-propyl-1H-1,2,4-triazol-3-yl)-4-(trifluoromethyl)aniline
CID 66270477
2-[4-bromo-3-(5-tert-butyl-2-methylphenyl)-1H-pyrazol-5-yl]ethanamine
CID 84610792
3-chloro-4-(5-propyl-1H-1,2,4-triazol-3-yl)aniline
CID 61399022

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-tert-butyl-2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(4-tert-butyl-2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine (CID 82483721) is 2-[3-(4-tert-butyl-2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-tert-butyl-2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(4-tert-butyl-2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine is Cc1cc(C(C)(C)C)ccc1-c1n[nH]c(CCN)n1.
What is the InChIKey of 2-[3-(4-tert-butyl-2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The InChIKey is NOZDSFANRCKZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-10-9-11(15(2,3)4)5-6-12(10)14-17-13(7-8-16)18-19-14/h5-6,9H,7-8,16H2,1-4H3,(H,17,18,19).
What are the key properties of 2-[3-(4-tert-butyl-2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine?
2-[3-(4-tert-butyl-2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine has a molecular weight of 258.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-tert-butyl-2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine is sourced from PubChem (CID 82483721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).