1-(4-propan-2-ylphenyl)triazole

C11H13N3 — CID 58170200

IUPAC1-(4-propan-2-ylphenyl)triazole
SMILESCC(C)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C11H13N3/c1-9(2)10-3-5-11(6-4-10)14-8-7-12-13-14/h3-9H,1-2H3
InChIKeyPMBYGTFYFQGTRG-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.39
Rot. Bonds2

About 1-(4-propan-2-ylphenyl)triazole

1-(4-propan-2-ylphenyl)triazole (PubChem CID 58170200) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)triazole.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)triazole
PubChem CID58170200
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1-(4-propan-2-ylphenyl)triazole
SMILESCC(C)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C11H13N3/c1-9(2)10-3-5-11(6-4-10)14-8-7-12-13-14/h3-9H,1-2H3
InChIKeyPMBYGTFYFQGTRG-UHFFFAOYSA-N
XLogP2.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)triazole?
The IUPAC name of 1-(4-propan-2-ylphenyl)triazole (CID 58170200) is 1-(4-propan-2-ylphenyl)triazole.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)triazole?
The canonical SMILES for 1-(4-propan-2-ylphenyl)triazole is CC(C)c1ccc(-n2ccnn2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)triazole?
The InChIKey is PMBYGTFYFQGTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-9(2)10-3-5-11(6-4-10)14-8-7-12-13-14/h3-9H,1-2H3.
What are the key properties of 1-(4-propan-2-ylphenyl)triazole?
1-(4-propan-2-ylphenyl)triazole has a molecular weight of 187.25 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)triazole is sourced from PubChem (CID 58170200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).