4-(2-methylphenyl)-2H-triazole;2H-triazole

C11H12N6 — CID 67894535

IUPAC4-(2-methylphenyl)-2H-triazole;2H-triazole
SMILESCc1ccccc1-c1cn[nH]n1.c1cn[nH]n1
InChIInChI=1S/C9H9N3.C2H3N3/c1-7-4-2-3-5-8(7)9-6-10-12-11-9;1-2-4-5-3-1/h2-6H,1H3,(H,10,11,12);1-2H,(H,3,4,5)
InChIKeyWGOACAUVQACZRV-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.58
Rot. Bonds1

About 4-(2-methylphenyl)-2H-triazole;2H-triazole

4-(2-methylphenyl)-2H-triazole;2H-triazole (PubChem CID 67894535) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 4-(2-methylphenyl)-2H-triazole;2H-triazole.

Molecular Properties

Compound Name4-(2-methylphenyl)-2H-triazole;2H-triazole
PubChem CID67894535
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name4-(2-methylphenyl)-2H-triazole;2H-triazole
SMILESCc1ccccc1-c1cn[nH]n1.c1cn[nH]n1
InChIInChI=1S/C9H9N3.C2H3N3/c1-7-4-2-3-5-8(7)9-6-10-12-11-9;1-2-4-5-3-1/h2-6H,1H3,(H,10,11,12);1-2H,(H,3,4,5)
InChIKeyWGOACAUVQACZRV-UHFFFAOYSA-N
XLogP1.58
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-2H-triazole;2H-triazole?
The IUPAC name of 4-(2-methylphenyl)-2H-triazole;2H-triazole (CID 67894535) is 4-(2-methylphenyl)-2H-triazole;2H-triazole.
What is the SMILES notation for 4-(2-methylphenyl)-2H-triazole;2H-triazole?
The canonical SMILES for 4-(2-methylphenyl)-2H-triazole;2H-triazole is Cc1ccccc1-c1cn[nH]n1.c1cn[nH]n1.
What is the InChIKey of 4-(2-methylphenyl)-2H-triazole;2H-triazole?
The InChIKey is WGOACAUVQACZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3.C2H3N3/c1-7-4-2-3-5-8(7)9-6-10-12-11-9;1-2-4-5-3-1/h2-6H,1H3,(H,10,11,12);1-2H,(H,3,4,5).
What are the key properties of 4-(2-methylphenyl)-2H-triazole;2H-triazole?
4-(2-methylphenyl)-2H-triazole;2H-triazole has a molecular weight of 228.26 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-2H-triazole;2H-triazole is sourced from PubChem (CID 67894535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).