styrene;2H-triazole

C10H11N3 — CID 90117886

IUPACstyrene;2H-triazole
SMILESC=Cc1ccccc1.c1cn[nH]n1
InChIInChI=1S/C8H8.C2H3N3/c1-2-8-6-4-3-5-7-8;1-2-4-5-3-1/h2-7H,1H2;1-2H,(H,3,4,5)
InChIKeyOJTUTKFQMOOESU-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.13
Rot. Bonds1

About styrene;2H-triazole

styrene;2H-triazole (PubChem CID 90117886) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is styrene;2H-triazole.

Molecular Properties

Compound Namestyrene;2H-triazole
PubChem CID90117886
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Namestyrene;2H-triazole
SMILESC=Cc1ccccc1.c1cn[nH]n1
InChIInChI=1S/C8H8.C2H3N3/c1-2-8-6-4-3-5-7-8;1-2-4-5-3-1/h2-7H,1H2;1-2H,(H,3,4,5)
InChIKeyOJTUTKFQMOOESU-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of styrene;2H-triazole?
The IUPAC name of styrene;2H-triazole (CID 90117886) is styrene;2H-triazole.
What is the SMILES notation for styrene;2H-triazole?
The canonical SMILES for styrene;2H-triazole is C=Cc1ccccc1.c1cn[nH]n1.
What is the InChIKey of styrene;2H-triazole?
The InChIKey is OJTUTKFQMOOESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C2H3N3/c1-2-8-6-4-3-5-7-8;1-2-4-5-3-1/h2-7H,1H2;1-2H,(H,3,4,5).
What are the key properties of styrene;2H-triazole?
styrene;2H-triazole has a molecular weight of 173.22 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for styrene;2H-triazole is sourced from PubChem (CID 90117886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).