5-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]-1H-indole

C16H20N4 — CID 154686601

IUPAC5-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]-1H-indole
SMILESCCC(CC)C(c1ccc2[nH]ccc2c1)n1cncn1
InChIInChI=1S/C16H20N4/c1-3-12(4-2)16(20-11-17-10-19-20)14-5-6-15-13(9-14)7-8-18-15/h5-12,16,18H,3-4H2,1-2H3
InChIKeyUJZWHPBNTRFODH-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.79
Rot. Bonds5

About 5-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]-1H-indole

5-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]-1H-indole (PubChem CID 154686601) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]-1H-indole.

Molecular Properties

Compound Name5-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]-1H-indole
PubChem CID154686601
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name5-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]-1H-indole
SMILESCCC(CC)C(c1ccc2[nH]ccc2c1)n1cncn1
InChIInChI=1S/C16H20N4/c1-3-12(4-2)16(20-11-17-10-19-20)14-5-6-15-13(9-14)7-8-18-15/h5-12,16,18H,3-4H2,1-2H3
InChIKeyUJZWHPBNTRFODH-UHFFFAOYSA-N
XLogP3.79
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]acetamide
CID 22603030
5-butan-2-yl-1H-indole;molecular hydrogen
CID 144711250
N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-4-(1H-1,2,4-triazol-5-yl)aniline
CID 154686613
5-propan-2-yl-1H-indole
CID 10558918
6-[1-(1H-indol-5-yl)propyl]quinoxaline
CID 174566822
1H-indol-5-yl-(2-propylpyrazol-3-yl)methanol
CID 114557062
3-[4-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]anilino]-2-fluorophenyl]propanoic acid
CID 154686623
(1R)-1-(1H-indol-5-yl)-N-methylethanamine
CID 55276552
1-(1-fluoropropyl)-1,2,4-triazole
CID 91074116
1-(1H-indol-5-yl)-2-methoxyethanamine
CID 55270804
1-(1H-indol-5-yl)-2-(1-methylpyrrol-3-yl)ethanamine
CID 82388266
4-[hydroxy(1H-indol-5-yl)methyl]benzonitrile
CID 115480990

Frequently Asked Questions

What is the IUPAC name of 5-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]-1H-indole?
The IUPAC name of 5-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]-1H-indole (CID 154686601) is 5-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]-1H-indole.
What is the SMILES notation for 5-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]-1H-indole?
The canonical SMILES for 5-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]-1H-indole is CCC(CC)C(c1ccc2[nH]ccc2c1)n1cncn1.
What is the InChIKey of 5-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]-1H-indole?
The InChIKey is UJZWHPBNTRFODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-3-12(4-2)16(20-11-17-10-19-20)14-5-6-15-13(9-14)7-8-18-15/h5-12,16,18H,3-4H2,1-2H3.
What are the key properties of 5-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]-1H-indole?
5-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]-1H-indole has a molecular weight of 268.36 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]-1H-indole is sourced from PubChem (CID 154686601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).