5-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazole

C17H21N3 — CID 63548842

IUPAC5-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazole
SMILESc1cc2c(cc1-c1n[nH]c(C3CCCCC3)n1)CCC2
InChIInChI=1S/C17H21N3/c1-2-5-13(6-3-1)16-18-17(20-19-16)15-10-9-12-7-4-8-14(12)11-15/h9-11,13H,1-8H2,(H,18,19,20)
InChIKeyKLDSBHCVWWNMRN-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.01
Rot. Bonds2

About 5-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazole

5-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazole (PubChem CID 63548842) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 5-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazole
PubChem CID63548842
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name5-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazole
SMILESc1cc2c(cc1-c1n[nH]c(C3CCCCC3)n1)CCC2
InChIInChI=1S/C17H21N3/c1-2-5-13(6-3-1)16-18-17(20-19-16)15-10-9-12-7-4-8-14(12)11-15/h9-11,13H,1-8H2,(H,18,19,20)
InChIKeyKLDSBHCVWWNMRN-UHFFFAOYSA-N
XLogP4.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazole (CID 63548842) is 5-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazole is c1cc2c(cc1-c1n[nH]c(C3CCCCC3)n1)CCC2.
What is the InChIKey of 5-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazole?
The InChIKey is KLDSBHCVWWNMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-5-13(6-3-1)16-18-17(20-19-16)15-10-9-12-7-4-8-14(12)11-15/h9-11,13H,1-8H2,(H,18,19,20).
What are the key properties of 5-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazole?
5-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazole has a molecular weight of 267.38 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 63548842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).