4-(2-methylpropyl)-2-phenyltriazole

C12H15N3 — CID 67986686

IUPAC4-(2-methylpropyl)-2-phenyltriazole
SMILESCC(C)Cc1cnn(-c2ccccc2)n1
InChIInChI=1S/C12H15N3/c1-10(2)8-11-9-13-15(14-11)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3
InChIKeyXIPKCTIWZXGRCE-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.47
Rot. Bonds3

About 4-(2-methylpropyl)-2-phenyltriazole

4-(2-methylpropyl)-2-phenyltriazole (PubChem CID 67986686) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2-phenyltriazole.

Molecular Properties

Compound Name4-(2-methylpropyl)-2-phenyltriazole
PubChem CID67986686
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name4-(2-methylpropyl)-2-phenyltriazole
SMILESCC(C)Cc1cnn(-c2ccccc2)n1
InChIInChI=1S/C12H15N3/c1-10(2)8-11-9-13-15(14-11)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3
InChIKeyXIPKCTIWZXGRCE-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 4-(2-methylpropyl)-2-phenyltriazole?
The IUPAC name of 4-(2-methylpropyl)-2-phenyltriazole (CID 67986686) is 4-(2-methylpropyl)-2-phenyltriazole.
What is the SMILES notation for 4-(2-methylpropyl)-2-phenyltriazole?
The canonical SMILES for 4-(2-methylpropyl)-2-phenyltriazole is CC(C)Cc1cnn(-c2ccccc2)n1.
What is the InChIKey of 4-(2-methylpropyl)-2-phenyltriazole?
The InChIKey is XIPKCTIWZXGRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10(2)8-11-9-13-15(14-11)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-2-phenyltriazole?
4-(2-methylpropyl)-2-phenyltriazole 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 4-(2-methylpropyl)-2-phenyltriazole is sourced from PubChem (CID 67986686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).