[5-(3,4-dimethylphenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine

C15H22N4 — CID 82208795

IUPAC[5-(3,4-dimethylphenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine
SMILESCc1ccc(-c2c(CN)nnn2CC(C)C)cc1C
InChIInChI=1S/C15H22N4/c1-10(2)9-19-15(14(8-16)17-18-19)13-6-5-11(3)12(4)7-13/h5-7,10H,8-9,16H2,1-4H3
InChIKeyZSJKTJKJVRFNTC-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.68
Rot. Bonds4

About [5-(3,4-dimethylphenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine

[5-(3,4-dimethylphenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine (PubChem CID 82208795) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is [5-(3,4-dimethylphenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3,4-dimethylphenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine
PubChem CID82208795
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name[5-(3,4-dimethylphenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine
SMILESCc1ccc(-c2c(CN)nnn2CC(C)C)cc1C
InChIInChI=1S/C15H22N4/c1-10(2)9-19-15(14(8-16)17-18-19)13-6-5-11(3)12(4)7-13/h5-7,10H,8-9,16H2,1-4H3
InChIKeyZSJKTJKJVRFNTC-UHFFFAOYSA-N
XLogP2.68
TPSA56.73 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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(aminomethyl)-5-(3,4-dimethylphenyl)triazol-1-yl]propane-1,2-diol
CID 82210363
[5-(3-bromophenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine
CID 94944816
[5-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)triazol-4-yl]methanamine
CID 94938674
[1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82196160
[5-(3,4-dichlorophenyl)-1-(2-methylpropyl)triazol-4-yl]methanol
CID 82208626
[1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82207457
[5-(4-bromophenyl)-1-(2-methylpropyl)triazol-4-yl]methanol
CID 94944799
[1-(3-methylbutyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82208441
[5-(3-methoxyphenyl)-1-(2-methylpropyl)triazol-4-yl]methanol
CID 82208617
[5-(3,4-dimethylphenyl)-1-heptyltriazol-4-yl]methanol
CID 82208060
[5-(3,4-dimethoxyphenyl)-1-propyltriazol-4-yl]methanamine
CID 82205143
2-[5-(3,4-dimethylphenyl)-4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
CID 82211263

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethylphenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine?
The IUPAC name of [5-(3,4-dimethylphenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine (CID 82208795) is [5-(3,4-dimethylphenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-(3,4-dimethylphenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-(3,4-dimethylphenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine is Cc1ccc(-c2c(CN)nnn2CC(C)C)cc1C.
What is the InChIKey of [5-(3,4-dimethylphenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine?
The InChIKey is ZSJKTJKJVRFNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-10(2)9-19-15(14(8-16)17-18-19)13-6-5-11(3)12(4)7-13/h5-7,10H,8-9,16H2,1-4H3.
What are the key properties of [5-(3,4-dimethylphenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine?
[5-(3,4-dimethylphenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine has a molecular weight of 258.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethylphenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82208795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).