1-(2-phenyl-2-propylcycloheptyl)-1,2,4-triazole

C18H25N3 — CID 118473703

IUPAC1-(2-phenyl-2-propylcycloheptyl)-1,2,4-triazole
SMILESCCCC1(c2ccccc2)CCCCCC1n1cncn1
InChIInChI=1S/C18H25N3/c1-2-12-18(16-9-5-3-6-10-16)13-8-4-7-11-17(18)21-15-19-14-20-21/h3,5-6,9-10,14-15,17H,2,4,7-8,11-13H2,1H3
InChIKeyMLBGOYPYTNLZPU-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.52
Rot. Bonds4

About 1-(2-phenyl-2-propylcycloheptyl)-1,2,4-triazole

1-(2-phenyl-2-propylcycloheptyl)-1,2,4-triazole (PubChem CID 118473703) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(2-phenyl-2-propylcycloheptyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-phenyl-2-propylcycloheptyl)-1,2,4-triazole
PubChem CID118473703
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-(2-phenyl-2-propylcycloheptyl)-1,2,4-triazole
SMILESCCCC1(c2ccccc2)CCCCCC1n1cncn1
InChIInChI=1S/C18H25N3/c1-2-12-18(16-9-5-3-6-10-16)13-8-4-7-11-17(18)21-15-19-14-20-21/h3,5-6,9-10,14-15,17H,2,4,7-8,11-13H2,1H3
InChIKeyMLBGOYPYTNLZPU-UHFFFAOYSA-N
XLogP4.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-2-propylcycloheptyl)-1,2,4-triazole?
The IUPAC name of 1-(2-phenyl-2-propylcycloheptyl)-1,2,4-triazole (CID 118473703) is 1-(2-phenyl-2-propylcycloheptyl)-1,2,4-triazole.
What is the SMILES notation for 1-(2-phenyl-2-propylcycloheptyl)-1,2,4-triazole?
The canonical SMILES for 1-(2-phenyl-2-propylcycloheptyl)-1,2,4-triazole is CCCC1(c2ccccc2)CCCCCC1n1cncn1.
What is the InChIKey of 1-(2-phenyl-2-propylcycloheptyl)-1,2,4-triazole?
The InChIKey is MLBGOYPYTNLZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-12-18(16-9-5-3-6-10-16)13-8-4-7-11-17(18)21-15-19-14-20-21/h3,5-6,9-10,14-15,17H,2,4,7-8,11-13H2,1H3.
What are the key properties of 1-(2-phenyl-2-propylcycloheptyl)-1,2,4-triazole?
1-(2-phenyl-2-propylcycloheptyl)-1,2,4-triazole has a molecular weight of 283.42 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-2-propylcycloheptyl)-1,2,4-triazole is sourced from PubChem (CID 118473703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).