3-[2-(4-phenyltriazol-1-yl)ethyl]-1H-indole

C18H16N4 — CID 25011689

IUPAC3-[2-(4-phenyltriazol-1-yl)ethyl]-1H-indole
SMILESc1ccc(-c2cn(CCc3c[nH]c4ccccc34)nn2)cc1
InChIInChI=1S/C18H16N4/c1-2-6-14(7-3-1)18-13-22(21-20-18)11-10-15-12-19-17-9-5-4-8-16(15)17/h1-9,12-13,19H,10-11H2
InChIKeyLVMVBXFGHWBWTB-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.67
Rot. Bonds4

About 3-[2-(4-phenyltriazol-1-yl)ethyl]-1H-indole

3-[2-(4-phenyltriazol-1-yl)ethyl]-1H-indole (PubChem CID 25011689) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[2-(4-phenyltriazol-1-yl)ethyl]-1H-indole.

Molecular Properties

Compound Name3-[2-(4-phenyltriazol-1-yl)ethyl]-1H-indole
PubChem CID25011689
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name3-[2-(4-phenyltriazol-1-yl)ethyl]-1H-indole
SMILESc1ccc(-c2cn(CCc3c[nH]c4ccccc34)nn2)cc1
InChIInChI=1S/C18H16N4/c1-2-6-14(7-3-1)18-13-22(21-20-18)11-10-15-12-19-17-9-5-4-8-16(15)17/h1-9,12-13,19H,10-11H2
InChIKeyLVMVBXFGHWBWTB-UHFFFAOYSA-N
XLogP3.67
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-phenyltriazol-1-yl)ethyl]-1H-indole?
The IUPAC name of 3-[2-(4-phenyltriazol-1-yl)ethyl]-1H-indole (CID 25011689) is 3-[2-(4-phenyltriazol-1-yl)ethyl]-1H-indole.
What is the SMILES notation for 3-[2-(4-phenyltriazol-1-yl)ethyl]-1H-indole?
The canonical SMILES for 3-[2-(4-phenyltriazol-1-yl)ethyl]-1H-indole is c1ccc(-c2cn(CCc3c[nH]c4ccccc34)nn2)cc1.
What is the InChIKey of 3-[2-(4-phenyltriazol-1-yl)ethyl]-1H-indole?
The InChIKey is LVMVBXFGHWBWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-2-6-14(7-3-1)18-13-22(21-20-18)11-10-15-12-19-17-9-5-4-8-16(15)17/h1-9,12-13,19H,10-11H2.
What are the key properties of 3-[2-(4-phenyltriazol-1-yl)ethyl]-1H-indole?
3-[2-(4-phenyltriazol-1-yl)ethyl]-1H-indole has a molecular weight of 288.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-phenyltriazol-1-yl)ethyl]-1H-indole is sourced from PubChem (CID 25011689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).