N-[(3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine

C15H22N4 — CID 105043354

IUPACN-[(3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1c(C)cc(C)cc1C)c1cnnn1C
InChIInChI=1S/C15H22N4/c1-6-16-15(13-9-17-18-19(13)5)14-11(3)7-10(2)8-12(14)4/h7-9,15-16H,6H2,1-5H3
InChIKeyDWCCQZQQPPHPKQ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.44
Rot. Bonds4

About N-[(3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine

N-[(3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine (PubChem CID 105043354) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[(3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
PubChem CID105043354
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-[(3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1c(C)cc(C)cc1C)c1cnnn1C
InChIInChI=1S/C15H22N4/c1-6-16-15(13-9-17-18-19(13)5)14-11(3)7-10(2)8-12(14)4/h7-9,15-16H,6H2,1-5H3
InChIKeyDWCCQZQQPPHPKQ-UHFFFAOYSA-N
XLogP2.44
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyltriazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 105184470
N-[(2-bromo-5-methylphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043552
N-[(5-bromo-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043393
N-[(2,6-dimethoxyphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043570
N-[(3-methyltriazol-4-yl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 114687378
N-[(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 102804517
N-[(4-chloro-1-methylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 105046319
N-[(3,5-dimethyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114689034
N-[(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038920
N-[(5-bromofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043781
N-[(3-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105184574
N-[(3-bromothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043665

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine (CID 105043354) is N-[(3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine is CCNC(c1c(C)cc(C)cc1C)c1cnnn1C.
What is the InChIKey of N-[(3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
The InChIKey is DWCCQZQQPPHPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-6-16-15(13-9-17-18-19(13)5)14-11(3)7-10(2)8-12(14)4/h7-9,15-16H,6H2,1-5H3.
What are the key properties of N-[(3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
N-[(3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine has a molecular weight of 258.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 105043354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).