1,2-dimethyl-4-phenylbenzene;2H-triazole

C16H17N3 — CID 158820785

IUPAC1,2-dimethyl-4-phenylbenzene;2H-triazole
SMILESCc1ccc(-c2ccccc2)cc1C.c1cn[nH]n1
InChIInChI=1S/C14H14.C2H3N3/c1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13;1-2-4-5-3-1/h3-10H,1-2H3;1-2H,(H,3,4,5)
InChIKeyIVVMYANEWZHNMB-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.78
Rot. Bonds1

About 1,2-dimethyl-4-phenylbenzene;2H-triazole

1,2-dimethyl-4-phenylbenzene;2H-triazole (PubChem CID 158820785) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1,2-dimethyl-4-phenylbenzene;2H-triazole.

Molecular Properties

Compound Name1,2-dimethyl-4-phenylbenzene;2H-triazole
PubChem CID158820785
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1,2-dimethyl-4-phenylbenzene;2H-triazole
SMILESCc1ccc(-c2ccccc2)cc1C.c1cn[nH]n1
InChIInChI=1S/C14H14.C2H3N3/c1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13;1-2-4-5-3-1/h3-10H,1-2H3;1-2H,(H,3,4,5)
InChIKeyIVVMYANEWZHNMB-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2-dimethyl-4-phenylbenzene;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

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-phenylbenzene;2H-triazole?
The IUPAC name of 1,2-dimethyl-4-phenylbenzene;2H-triazole (CID 158820785) is 1,2-dimethyl-4-phenylbenzene;2H-triazole.
What is the SMILES notation for 1,2-dimethyl-4-phenylbenzene;2H-triazole?
The canonical SMILES for 1,2-dimethyl-4-phenylbenzene;2H-triazole is Cc1ccc(-c2ccccc2)cc1C.c1cn[nH]n1.
What is the InChIKey of 1,2-dimethyl-4-phenylbenzene;2H-triazole?
The InChIKey is IVVMYANEWZHNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C2H3N3/c1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13;1-2-4-5-3-1/h3-10H,1-2H3;1-2H,(H,3,4,5).
What are the key properties of 1,2-dimethyl-4-phenylbenzene;2H-triazole?
1,2-dimethyl-4-phenylbenzene;2H-triazole has a molecular weight of 251.33 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-phenylbenzene;2H-triazole is sourced from PubChem (CID 158820785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).