3-[2-[4-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-1H-indole

C20H20N4 — CID 141222619

IUPAC3-[2-[4-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-1H-indole
SMILESc1ccc(CCn2cnnc2CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H20N4/c1-2-6-16(7-3-1)12-13-24-15-22-23-20(24)11-10-17-14-21-19-9-5-4-8-18(17)19/h1-9,14-15,21H,10-13H2
InChIKeyVUZVGFQYJKIWQN-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.79
Rot. Bonds6

About 3-[2-[4-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-1H-indole

3-[2-[4-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-1H-indole (PubChem CID 141222619) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-[2-[4-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-1H-indole.

Molecular Properties

Compound Name3-[2-[4-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-1H-indole
PubChem CID141222619
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name3-[2-[4-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-1H-indole
SMILESc1ccc(CCn2cnnc2CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H20N4/c1-2-6-16(7-3-1)12-13-24-15-22-23-20(24)11-10-17-14-21-19-9-5-4-8-18(17)19/h1-9,14-15,21H,10-13H2
InChIKeyVUZVGFQYJKIWQN-UHFFFAOYSA-N
XLogP3.79
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 141167256
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
bis[4-[2-(1H-indol-3-yl)ethyl]phenyl]methanone
CID 91093763
4-benzyl-3-(2-phenylethyl)-1,2,4-triazole
CID 141167274
N-[(1R)-1-[4-benzyl-5-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]formamide
CID 89007667
N-[2-(1H-indol-3-yl)ethyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42693068
3-(2-pyridin-3-ylethyl)-1H-indole
CID 19005702
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-[2-(5-ethylimidazol-1-yl)ethyl]-1H-indole
CID 134268652
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
4-(2-phenylethyl)-3-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]disulfanyl]-1,2,4-triazole
CID 20726524
3-[[4-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 56712137

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-1H-indole?
The IUPAC name of 3-[2-[4-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-1H-indole (CID 141222619) is 3-[2-[4-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-1H-indole.
What is the SMILES notation for 3-[2-[4-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-1H-indole?
The canonical SMILES for 3-[2-[4-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-1H-indole is c1ccc(CCn2cnnc2CCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[2-[4-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-1H-indole?
The InChIKey is VUZVGFQYJKIWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-2-6-16(7-3-1)12-13-24-15-22-23-20(24)11-10-17-14-21-19-9-5-4-8-18(17)19/h1-9,14-15,21H,10-13H2.
What are the key properties of 3-[2-[4-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-1H-indole?
3-[2-[4-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-1H-indole has a molecular weight of 316.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-1H-indole is sourced from PubChem (CID 141222619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).