2-benzyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine

C14H20N4 — CID 79013746

IUPAC2-benzyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCC(N)(Cc1ccccc1)Cc1ncnn1C
InChIInChI=1S/C14H20N4/c1-3-14(15,9-12-7-5-4-6-8-12)10-13-16-11-17-18(13)2/h4-8,11H,3,9-10,15H2,1-2H3
InChIKeyWUMYUKJJQJNDBN-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.71
Rot. Bonds5

About 2-benzyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine

2-benzyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine (PubChem CID 79013746) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-benzyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name2-benzyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
PubChem CID79013746
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-benzyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCC(N)(Cc1ccccc1)Cc1ncnn1C
InChIInChI=1S/C14H20N4/c1-3-14(15,9-12-7-5-4-6-8-12)10-13-16-11-17-18(13)2/h4-8,11H,3,9-10,15H2,1-2H3
InChIKeyWUMYUKJJQJNDBN-UHFFFAOYSA-N
XLogP1.71
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-4H-1,2,4-triazole
CID 594447
1-Methyl-3-phenethyl-1,2,4-triazole
CID 374341
US11433053, Example 14
CID 148336466
3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-phenylethyl)piperidine
CID 53609707
1-[2-(4-Ethylphenyl)ethyl]-1,2,4-triazole-3-carbonitrile
CID 56791137
Phenethyl 1,2,4-triazole
CID 10397257
1-Methyl-3-phenyl-1H-1,2,4-triazole
CID 10877408
1-Methyl-5-phenethyl-1,2,4-triazole
CID 374343
2-phenyl-1-(1H-1,2,4-triazol-5-yl)ethan-1-amine hydrochloride
CID 61361423
[2-(4-fluorophenyl)-1-(4H-1,2,4-triazol-3-yl)ethyl](methyl)amine
CID 65363369
(1R)-2-phenyl-1-(1H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride
CID 137935845
1-(2-Phenylethyl)-4-(4-propyl-4H-1,2,4-triazol-3-YL)piperidine
CID 53192545

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine?
The IUPAC name of 2-benzyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine (CID 79013746) is 2-benzyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine.
What is the SMILES notation for 2-benzyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine?
The canonical SMILES for 2-benzyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine is CCC(N)(Cc1ccccc1)Cc1ncnn1C.
What is the InChIKey of 2-benzyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine?
The InChIKey is WUMYUKJJQJNDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-14(15,9-12-7-5-4-6-8-12)10-13-16-11-17-18(13)2/h4-8,11H,3,9-10,15H2,1-2H3.
What are the key properties of 2-benzyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine?
2-benzyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine has a molecular weight of 244.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine is sourced from PubChem (CID 79013746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).