1-[2-(triazol-1-yl)ethyl]indole

C12H12N4 — CID 57292159

IUPAC1-[2-(triazol-1-yl)ethyl]indole
SMILESc1ccc2c(c1)ccn2CCn1ccnn1
InChIInChI=1S/C12H12N4/c1-2-4-12-11(3-1)5-7-15(12)9-10-16-8-6-13-14-16/h1-8H,9-10H2
InChIKeyBWQKTWNYCZTHNN-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.93
Rot. Bonds3

About 1-[2-(triazol-1-yl)ethyl]indole

1-[2-(triazol-1-yl)ethyl]indole (PubChem CID 57292159) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-[2-(triazol-1-yl)ethyl]indole.

Molecular Properties

Compound Name1-[2-(triazol-1-yl)ethyl]indole
PubChem CID57292159
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name1-[2-(triazol-1-yl)ethyl]indole
SMILESc1ccc2c(c1)ccn2CCn1ccnn1
InChIInChI=1S/C12H12N4/c1-2-4-12-11(3-1)5-7-15(12)9-10-16-8-6-13-14-16/h1-8H,9-10H2
InChIKeyBWQKTWNYCZTHNN-UHFFFAOYSA-N
XLogP1.93
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(triazol-1-yl)ethyl]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-cyclopropyl-3-(triazol-1-yl)propyl]indole
CID 57182951
1-(2-indol-1-ylethyl)pyrazol-3-amine
CID 55206221
1-[2-(triazol-1-ylmethyl)heptyl]indole
CID 57121388
1-(2-indol-1-ylethyl)pyrazol-4-amine
CID 62138266
CID 58655955
CID 58655955
1-(2-fluoroethyl)indole
CID 80694500
3-indol-1-ylpropan-1-amine
CID 2512786
1-(3-fluoropropyl)indole
CID 81113690
1-(3-iodopropyl)indole
CID 11323600
3-indol-1-ylpropane-1-thiol
CID 139540347
1-(2-phenylethyl)indole
CID 12601752
N-phenyl-1-[2-(triazol-1-yl)ethyl]imidazol-2-amine
CID 106579677

Frequently Asked Questions

What is the IUPAC name of 1-[2-(triazol-1-yl)ethyl]indole?
The IUPAC name of 1-[2-(triazol-1-yl)ethyl]indole (CID 57292159) is 1-[2-(triazol-1-yl)ethyl]indole.
What is the SMILES notation for 1-[2-(triazol-1-yl)ethyl]indole?
The canonical SMILES for 1-[2-(triazol-1-yl)ethyl]indole is c1ccc2c(c1)ccn2CCn1ccnn1.
What is the InChIKey of 1-[2-(triazol-1-yl)ethyl]indole?
The InChIKey is BWQKTWNYCZTHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-2-4-12-11(3-1)5-7-15(12)9-10-16-8-6-13-14-16/h1-8H,9-10H2.
What are the key properties of 1-[2-(triazol-1-yl)ethyl]indole?
1-[2-(triazol-1-yl)ethyl]indole has a molecular weight of 212.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(triazol-1-yl)ethyl]indole is sourced from PubChem (CID 57292159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).