3-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole

C14H19N3 — CID 113301392

IUPAC3-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
SMILESCc1ccc(-c2nncn2CC(C)C)cc1C
InChIInChI=1S/C14H19N3/c1-10(2)8-17-9-15-16-14(17)13-6-5-11(3)12(4)7-13/h5-7,9-10H,8H2,1-4H3
InChIKeyWRSAXNHVTITRCG-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.22
Rot. Bonds3

About 3-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole

3-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole (PubChem CID 113301392) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
PubChem CID113301392
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
SMILESCc1ccc(-c2nncn2CC(C)C)cc1C
InChIInChI=1S/C14H19N3/c1-10(2)8-17-9-15-16-14(17)13-6-5-11(3)12(4)7-13/h5-7,9-10H,8H2,1-4H3
InChIKeyWRSAXNHVTITRCG-UHFFFAOYSA-N
XLogP3.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-3-methylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113397407
3-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395624
3-(3-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395591
3-[4-bromo-3-(trifluoromethyl)phenyl]-4-(2-methylpropyl)-1,2,4-triazole
CID 115395749
4-(2-methylpropyl)-3-(4-methylsulfonylphenyl)-1,2,4-triazole
CID 115395713
4-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)-1,2,4-triazole
CID 103123745
6-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroquinoline
CID 62709374
3-(bromomethyl)-5-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115400132
4-(2-methylpropyl)-3-(5-methylthiophen-2-yl)-1,2,4-triazole
CID 115395669
3-(2-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113301449
3-(2,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395609
3-(1-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole
CID 107976153

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole?
The IUPAC name of 3-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole (CID 113301392) is 3-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole?
The canonical SMILES for 3-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole is Cc1ccc(-c2nncn2CC(C)C)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole?
The InChIKey is WRSAXNHVTITRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10(2)8-17-9-15-16-14(17)13-6-5-11(3)12(4)7-13/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 3-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole?
3-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole has a molecular weight of 229.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole is sourced from PubChem (CID 113301392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).