3-(2-methylpropyl)-4-phenyl-1,2,4-triazole

C12H15N3 — CID 115393287

IUPAC3-(2-methylpropyl)-4-phenyl-1,2,4-triazole
SMILESCC(C)Cc1nncn1-c1ccccc1
InChIInChI=1S/C12H15N3/c1-10(2)8-12-14-13-9-15(12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyFCTSYUBKEUJANP-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.47
Rot. Bonds3

About 3-(2-methylpropyl)-4-phenyl-1,2,4-triazole

3-(2-methylpropyl)-4-phenyl-1,2,4-triazole (PubChem CID 115393287) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(2-methylpropyl)-4-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-methylpropyl)-4-phenyl-1,2,4-triazole
PubChem CID115393287
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-(2-methylpropyl)-4-phenyl-1,2,4-triazole
SMILESCC(C)Cc1nncn1-c1ccccc1
InChIInChI=1S/C12H15N3/c1-10(2)8-12-14-13-9-15(12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyFCTSYUBKEUJANP-UHFFFAOYSA-N
XLogP2.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-4-phenyl-1,2,4-triazole?
The IUPAC name of 3-(2-methylpropyl)-4-phenyl-1,2,4-triazole (CID 115393287) is 3-(2-methylpropyl)-4-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-(2-methylpropyl)-4-phenyl-1,2,4-triazole?
The canonical SMILES for 3-(2-methylpropyl)-4-phenyl-1,2,4-triazole is CC(C)Cc1nncn1-c1ccccc1.
What is the InChIKey of 3-(2-methylpropyl)-4-phenyl-1,2,4-triazole?
The InChIKey is FCTSYUBKEUJANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10(2)8-12-14-13-9-15(12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-4-phenyl-1,2,4-triazole?
3-(2-methylpropyl)-4-phenyl-1,2,4-triazole has a molecular weight of 201.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-4-phenyl-1,2,4-triazole is sourced from PubChem (CID 115393287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).