1-(2-methylphenyl)triazole

C9H9N3 — CID 22311655

IUPAC1-(2-methylphenyl)triazole
SMILESCc1ccccc1-n1ccnn1
InChIInChI=1S/C9H9N3/c1-8-4-2-3-5-9(8)12-7-6-10-11-12/h2-7H,1H3
InChIKeyNYKWVBSQRTXBCD-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.58
Rot. Bonds1

About 1-(2-methylphenyl)triazole

1-(2-methylphenyl)triazole (PubChem CID 22311655) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-(2-methylphenyl)triazole.

Molecular Properties

Compound Name1-(2-methylphenyl)triazole
PubChem CID22311655
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name1-(2-methylphenyl)triazole
SMILESCc1ccccc1-n1ccnn1
InChIInChI=1S/C9H9N3/c1-8-4-2-3-5-9(8)12-7-6-10-11-12/h2-7H,1H3
InChIKeyNYKWVBSQRTXBCD-UHFFFAOYSA-N
XLogP1.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)triazole?
The IUPAC name of 1-(2-methylphenyl)triazole (CID 22311655) is 1-(2-methylphenyl)triazole.
What is the SMILES notation for 1-(2-methylphenyl)triazole?
The canonical SMILES for 1-(2-methylphenyl)triazole is Cc1ccccc1-n1ccnn1.
What is the InChIKey of 1-(2-methylphenyl)triazole?
The InChIKey is NYKWVBSQRTXBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-8-4-2-3-5-9(8)12-7-6-10-11-12/h2-7H,1H3.
What are the key properties of 1-(2-methylphenyl)triazole?
1-(2-methylphenyl)triazole has a molecular weight of 159.19 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)triazole is sourced from PubChem (CID 22311655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).