4-(3,4-dimethylphenyl)-2H-triazole

C10H11N3 — CID 134818557

IUPAC4-(3,4-dimethylphenyl)-2H-triazole
SMILESCc1ccc(-c2cn[nH]n2)cc1C
InChIInChI=1S/C10H11N3/c1-7-3-4-9(5-8(7)2)10-6-11-13-12-10/h3-6H,1-2H3,(H,11,12,13)
InChIKeyZCQHHAXTIIISFP-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.09
Rot. Bonds1

About 4-(3,4-dimethylphenyl)-2H-triazole

4-(3,4-dimethylphenyl)-2H-triazole (PubChem CID 134818557) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-2H-triazole.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-2H-triazole
PubChem CID134818557
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4-(3,4-dimethylphenyl)-2H-triazole
SMILESCc1ccc(-c2cn[nH]n2)cc1C
InChIInChI=1S/C10H11N3/c1-7-3-4-9(5-8(7)2)10-6-11-13-12-10/h3-6H,1-2H3,(H,11,12,13)
InChIKeyZCQHHAXTIIISFP-UHFFFAOYSA-N
XLogP2.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,4-dimethylphenyl)-2H-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dimethyl-4-phenylbenzene;2H-triazole
CID 158820785
5-(3,4-dimethylphenyl)-1H-pyrazole
CID 61395014
2-ethyl-4-(2H-triazol-4-yl)benzamide
CID 67309472
2-(3,4-dimethylphenyl)-5-propylpyridine
CID 140847513
N-[2-methyl-5-(2H-triazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 68746808
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 20704293
2-(3,4-dimethylphenyl)-1H-imidazole
CID 12622727
6-(3,4-dimethylphenyl)-1H-pyrazolo[3,4-g]quinoxaline
CID 18999842
[2-(3,4-dimethylphenyl)-1H-imidazol-5-yl]methanol
CID 63108319
N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide
CID 47334767
4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 62481951
4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene
CID 159618631

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-2H-triazole?
The IUPAC name of 4-(3,4-dimethylphenyl)-2H-triazole (CID 134818557) is 4-(3,4-dimethylphenyl)-2H-triazole.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-2H-triazole?
The canonical SMILES for 4-(3,4-dimethylphenyl)-2H-triazole is Cc1ccc(-c2cn[nH]n2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-2H-triazole?
The InChIKey is ZCQHHAXTIIISFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-7-3-4-9(5-8(7)2)10-6-11-13-12-10/h3-6H,1-2H3,(H,11,12,13).
What are the key properties of 4-(3,4-dimethylphenyl)-2H-triazole?
4-(3,4-dimethylphenyl)-2H-triazole has a molecular weight of 173.22 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-2H-triazole is sourced from PubChem (CID 134818557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).