5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole

C16H20N4 — CID 61338165

IUPAC5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1-c1n[nH]c(C3CCCCC3)n1)CCN2
InChIInChI=1S/C16H20N4/c1-2-4-11(5-3-1)15-18-16(20-19-15)13-6-7-14-12(10-13)8-9-17-14/h6-7,10-11,17H,1-5,8-9H2,(H,18,19,20)
InChIKeyZUZNDNVWANAWLX-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.49
Rot. Bonds2

About 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole

5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole (PubChem CID 61338165) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
PubChem CID61338165
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1-c1n[nH]c(C3CCCCC3)n1)CCN2
InChIInChI=1S/C16H20N4/c1-2-4-11(5-3-1)15-18-16(20-19-15)13-6-7-14-12(10-13)8-9-17-14/h6-7,10-11,17H,1-5,8-9H2,(H,18,19,20)
InChIKeyZUZNDNVWANAWLX-UHFFFAOYSA-N
XLogP3.49
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole (CID 61338165) is 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole is c1cc2c(cc1-c1n[nH]c(C3CCCCC3)n1)CCN2.
What is the InChIKey of 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The InChIKey is ZUZNDNVWANAWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-4-11(5-3-1)15-18-16(20-19-15)13-6-7-14-12(10-13)8-9-17-14/h6-7,10-11,17H,1-5,8-9H2,(H,18,19,20).
What are the key properties of 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole has a molecular weight of 268.36 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 61338165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).