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

C13H17N3 — CID 155527338

IUPAC4-benzyl-3-(2-methylpropyl)-1,2,4-triazole
SMILESCC(C)Cc1nncn1Cc1ccccc1
InChIInChI=1S/C13H17N3/c1-11(2)8-13-15-14-10-16(13)9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyIUFIJMIBDNSFIH-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.52
Rot. Bonds4

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

4-benzyl-3-(2-methylpropyl)-1,2,4-triazole (PubChem CID 155527338) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-benzyl-3-(2-methylpropyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-benzyl-3-(2-methylpropyl)-1,2,4-triazole
PubChem CID155527338
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name4-benzyl-3-(2-methylpropyl)-1,2,4-triazole
SMILESCC(C)Cc1nncn1Cc1ccccc1
InChIInChI=1S/C13H17N3/c1-11(2)8-13-15-14-10-16(13)9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyIUFIJMIBDNSFIH-UHFFFAOYSA-N
XLogP2.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-(2-methylpropyl)-1,2,4-triazole?
The IUPAC name of 4-benzyl-3-(2-methylpropyl)-1,2,4-triazole (CID 155527338) is 4-benzyl-3-(2-methylpropyl)-1,2,4-triazole.
What is the SMILES notation for 4-benzyl-3-(2-methylpropyl)-1,2,4-triazole?
The canonical SMILES for 4-benzyl-3-(2-methylpropyl)-1,2,4-triazole is CC(C)Cc1nncn1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-(2-methylpropyl)-1,2,4-triazole?
The InChIKey is IUFIJMIBDNSFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11(2)8-13-15-14-10-16(13)9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 4-benzyl-3-(2-methylpropyl)-1,2,4-triazole?
4-benzyl-3-(2-methylpropyl)-1,2,4-triazole has a molecular weight of 215.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-(2-methylpropyl)-1,2,4-triazole is sourced from PubChem (CID 155527338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).