1-cyclohexyl-4,5-diphenyltriazole

C20H21N3 — CID 165349356

IUPAC1-cyclohexyl-4,5-diphenyltriazole
SMILESc1ccc(-c2nnn(C3CCCCC3)c2-c2ccccc2)cc1
InChIInChI=1S/C20H21N3/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23(22-21-19)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2
InChIKeyWTMURWJMHQWDHM-UHFFFAOYSA-N
MW303.41 g/mol
LogP5.12
Rot. Bonds3

About 1-cyclohexyl-4,5-diphenyltriazole

1-cyclohexyl-4,5-diphenyltriazole (PubChem CID 165349356) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-cyclohexyl-4,5-diphenyltriazole.

Molecular Properties

Compound Name1-cyclohexyl-4,5-diphenyltriazole
PubChem CID165349356
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name1-cyclohexyl-4,5-diphenyltriazole
SMILESc1ccc(-c2nnn(C3CCCCC3)c2-c2ccccc2)cc1
InChIInChI=1S/C20H21N3/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23(22-21-19)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2
InChIKeyWTMURWJMHQWDHM-UHFFFAOYSA-N
XLogP5.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.41
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4,5-diphenyltriazole?
The IUPAC name of 1-cyclohexyl-4,5-diphenyltriazole (CID 165349356) is 1-cyclohexyl-4,5-diphenyltriazole.
What is the SMILES notation for 1-cyclohexyl-4,5-diphenyltriazole?
The canonical SMILES for 1-cyclohexyl-4,5-diphenyltriazole is c1ccc(-c2nnn(C3CCCCC3)c2-c2ccccc2)cc1.
What is the InChIKey of 1-cyclohexyl-4,5-diphenyltriazole?
The InChIKey is WTMURWJMHQWDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23(22-21-19)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2.
What are the key properties of 1-cyclohexyl-4,5-diphenyltriazole?
1-cyclohexyl-4,5-diphenyltriazole has a molecular weight of 303.41 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4,5-diphenyltriazole is sourced from PubChem (CID 165349356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).