1-cyclohexyl-5H-triazolo[5,1-a]isoindole

C15H17N3 — CID 102258150

IUPAC1-cyclohexyl-5H-triazolo[5,1-a]isoindole
SMILESc1ccc2c(c1)Cn1nnc(C3CCCCC3)c1-2
InChIInChI=1S/C15H17N3/c1-2-6-11(7-3-1)14-15-13-9-5-4-8-12(13)10-18(15)17-16-14/h4-5,8-9,11H,1-3,6-7,10H2
InChIKeyWRJCXQGKHDTCKP-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.35
Rot. Bonds1

About 1-cyclohexyl-5H-triazolo[5,1-a]isoindole

1-cyclohexyl-5H-triazolo[5,1-a]isoindole (PubChem CID 102258150) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-cyclohexyl-5H-triazolo[5,1-a]isoindole.

Molecular Properties

Compound Name1-cyclohexyl-5H-triazolo[5,1-a]isoindole
PubChem CID102258150
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name1-cyclohexyl-5H-triazolo[5,1-a]isoindole
SMILESc1ccc2c(c1)Cn1nnc(C3CCCCC3)c1-2
InChIInChI=1S/C15H17N3/c1-2-6-11(7-3-1)14-15-13-9-5-4-8-12(13)10-18(15)17-16-14/h4-5,8-9,11H,1-3,6-7,10H2
InChIKeyWRJCXQGKHDTCKP-UHFFFAOYSA-N
XLogP3.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5H-triazolo[5,1-a]isoindole?
The IUPAC name of 1-cyclohexyl-5H-triazolo[5,1-a]isoindole (CID 102258150) is 1-cyclohexyl-5H-triazolo[5,1-a]isoindole.
What is the SMILES notation for 1-cyclohexyl-5H-triazolo[5,1-a]isoindole?
The canonical SMILES for 1-cyclohexyl-5H-triazolo[5,1-a]isoindole is c1ccc2c(c1)Cn1nnc(C3CCCCC3)c1-2.
What is the InChIKey of 1-cyclohexyl-5H-triazolo[5,1-a]isoindole?
The InChIKey is WRJCXQGKHDTCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-6-11(7-3-1)14-15-13-9-5-4-8-12(13)10-18(15)17-16-14/h4-5,8-9,11H,1-3,6-7,10H2.
What are the key properties of 1-cyclohexyl-5H-triazolo[5,1-a]isoindole?
1-cyclohexyl-5H-triazolo[5,1-a]isoindole has a molecular weight of 239.32 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5H-triazolo[5,1-a]isoindole is sourced from PubChem (CID 102258150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).