4-[3-(4-methylphenyl)propyl]-2H-triazole

C12H15N3 — CID 155683255

IUPAC4-[3-(4-methylphenyl)propyl]-2H-triazole
SMILESCc1ccc(CCCc2cn[nH]n2)cc1
InChIInChI=1S/C12H15N3/c1-10-5-7-11(8-6-10)3-2-4-12-9-13-15-14-12/h5-9H,2-4H2,1H3,(H,13,14,15)
InChIKeyZADOVAWYQIEGNB-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.29
Rot. Bonds4

About 4-[3-(4-methylphenyl)propyl]-2H-triazole

4-[3-(4-methylphenyl)propyl]-2H-triazole (PubChem CID 155683255) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-[3-(4-methylphenyl)propyl]-2H-triazole.

Molecular Properties

Compound Name4-[3-(4-methylphenyl)propyl]-2H-triazole
PubChem CID155683255
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name4-[3-(4-methylphenyl)propyl]-2H-triazole
SMILESCc1ccc(CCCc2cn[nH]n2)cc1
InChIInChI=1S/C12H15N3/c1-10-5-7-11(8-6-10)3-2-4-12-9-13-15-14-12/h5-9H,2-4H2,1H3,(H,13,14,15)
InChIKeyZADOVAWYQIEGNB-UHFFFAOYSA-N
XLogP2.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylphenyl)propyl]-2H-triazole?
The IUPAC name of 4-[3-(4-methylphenyl)propyl]-2H-triazole (CID 155683255) is 4-[3-(4-methylphenyl)propyl]-2H-triazole.
What is the SMILES notation for 4-[3-(4-methylphenyl)propyl]-2H-triazole?
The canonical SMILES for 4-[3-(4-methylphenyl)propyl]-2H-triazole is Cc1ccc(CCCc2cn[nH]n2)cc1.
What is the InChIKey of 4-[3-(4-methylphenyl)propyl]-2H-triazole?
The InChIKey is ZADOVAWYQIEGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10-5-7-11(8-6-10)3-2-4-12-9-13-15-14-12/h5-9H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 4-[3-(4-methylphenyl)propyl]-2H-triazole?
4-[3-(4-methylphenyl)propyl]-2H-triazole has a molecular weight of 201.27 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylphenyl)propyl]-2H-triazole is sourced from PubChem (CID 155683255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).