1-[2-(triazol-1-ylmethyl)heptyl]indole

C18H24N4 — CID 57121388

IUPAC1-[2-(triazol-1-ylmethyl)heptyl]indole
SMILESCCCCCC(Cn1ccnn1)Cn1ccc2ccccc21
InChIInChI=1S/C18H24N4/c1-2-3-4-7-16(15-22-13-11-19-20-22)14-21-12-10-17-8-5-6-9-18(17)21/h5-6,8-13,16H,2-4,7,14-15H2,1H3
InChIKeyYWFGLOZXYFGAER-UHFFFAOYSA-N
MW296.42 g/mol
LogP4.13
Rot. Bonds8

About 1-[2-(triazol-1-ylmethyl)heptyl]indole

1-[2-(triazol-1-ylmethyl)heptyl]indole (PubChem CID 57121388) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-[2-(triazol-1-ylmethyl)heptyl]indole.

Molecular Properties

Compound Name1-[2-(triazol-1-ylmethyl)heptyl]indole
PubChem CID57121388
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name1-[2-(triazol-1-ylmethyl)heptyl]indole
SMILESCCCCCC(Cn1ccnn1)Cn1ccc2ccccc21
InChIInChI=1S/C18H24N4/c1-2-3-4-7-16(15-22-13-11-19-20-22)14-21-12-10-17-8-5-6-9-18(17)21/h5-6,8-13,16H,2-4,7,14-15H2,1H3
InChIKeyYWFGLOZXYFGAER-UHFFFAOYSA-N
XLogP4.13
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(triazol-1-ylmethyl)heptyl]-1H-indole
CID 57249891
1-[2-cyclopropyl-3-(triazol-1-yl)propyl]indole
CID 57182951
1-[2-(triazol-1-yl)ethyl]indole
CID 57292159
1-indol-1-yl-N,N-dimethylpropan-2-amine
CID 154694251
1-(2-heptadecylicosyl)benzimidazole
CID 59202249
1-indol-1-ylpropan-2-amine
CID 20806570
(2S,3S)-1,4-di(indol-1-yl)butane-2,3-diol
CID 131853579
1-ethylindole;propane
CID 91144409
1-(2-ethylhexyl)-6-fluoroindole
CID 116619809
(2S)-3-indol-1-yl-2-methylpropan-1-ol
CID 139469635
acetic acid;1-butylindole
CID 162326365
2-indol-1-yldecanal
CID 175134329

Frequently Asked Questions

What is the IUPAC name of 1-[2-(triazol-1-ylmethyl)heptyl]indole?
The IUPAC name of 1-[2-(triazol-1-ylmethyl)heptyl]indole (CID 57121388) is 1-[2-(triazol-1-ylmethyl)heptyl]indole.
What is the SMILES notation for 1-[2-(triazol-1-ylmethyl)heptyl]indole?
The canonical SMILES for 1-[2-(triazol-1-ylmethyl)heptyl]indole is CCCCCC(Cn1ccnn1)Cn1ccc2ccccc21.
What is the InChIKey of 1-[2-(triazol-1-ylmethyl)heptyl]indole?
The InChIKey is YWFGLOZXYFGAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-2-3-4-7-16(15-22-13-11-19-20-22)14-21-12-10-17-8-5-6-9-18(17)21/h5-6,8-13,16H,2-4,7,14-15H2,1H3.
What are the key properties of 1-[2-(triazol-1-ylmethyl)heptyl]indole?
1-[2-(triazol-1-ylmethyl)heptyl]indole has a molecular weight of 296.42 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(triazol-1-ylmethyl)heptyl]indole is sourced from PubChem (CID 57121388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).