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

C16H20N4 — CID 62710580

IUPAC5-(4-cyclohexyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1-c1nncn1C1CCCCC1)CCN2
InChIInChI=1S/C16H20N4/c1-2-4-14(5-3-1)20-11-18-19-16(20)13-6-7-15-12(10-13)8-9-17-15/h6-7,10-11,14,17H,1-5,8-9H2
InChIKeyKKXNJDCEVFYHIV-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.42
Rot. Bonds2

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

5-(4-cyclohexyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole (PubChem CID 62710580) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-(4-cyclohexyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-(4-cyclohexyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
PubChem CID62710580
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name5-(4-cyclohexyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1-c1nncn1C1CCCCC1)CCN2
InChIInChI=1S/C16H20N4/c1-2-4-14(5-3-1)20-11-18-19-16(20)13-6-7-15-12(10-13)8-9-17-15/h6-7,10-11,14,17H,1-5,8-9H2
InChIKeyKKXNJDCEVFYHIV-UHFFFAOYSA-N
XLogP3.42
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-(4-cyclohexyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole (CID 62710580) is 5-(4-cyclohexyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-(4-cyclohexyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-(4-cyclohexyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole is c1cc2c(cc1-c1nncn1C1CCCCC1)CCN2.
What is the InChIKey of 5-(4-cyclohexyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The InChIKey is KKXNJDCEVFYHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-4-14(5-3-1)20-11-18-19-16(20)13-6-7-15-12(10-13)8-9-17-15/h6-7,10-11,14,17H,1-5,8-9H2.
What are the key properties of 5-(4-cyclohexyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
5-(4-cyclohexyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole has a molecular weight of 268.36 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 62710580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).