2-phenyl-3-(1,2,4-triazol-1-yl)-1H-indole

C16H12N4 — CID 44614418

IUPAC2-phenyl-3-(1,2,4-triazol-1-yl)-1H-indole
SMILESc1ccc(-c2[nH]c3ccccc3c2-n2cncn2)cc1
InChIInChI=1S/C16H12N4/c1-2-6-12(7-3-1)15-16(20-11-17-10-18-20)13-8-4-5-9-14(13)19-15/h1-11,19H
InChIKeyPTKHIVVGXNYJFL-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.42
Rot. Bonds2

About 2-phenyl-3-(1,2,4-triazol-1-yl)-1H-indole

2-phenyl-3-(1,2,4-triazol-1-yl)-1H-indole (PubChem CID 44614418) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-phenyl-3-(1,2,4-triazol-1-yl)-1H-indole.

Molecular Properties

Compound Name2-phenyl-3-(1,2,4-triazol-1-yl)-1H-indole
PubChem CID44614418
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name2-phenyl-3-(1,2,4-triazol-1-yl)-1H-indole
SMILESc1ccc(-c2[nH]c3ccccc3c2-n2cncn2)cc1
InChIInChI=1S/C16H12N4/c1-2-6-12(7-3-1)15-16(20-11-17-10-18-20)13-8-4-5-9-14(13)19-15/h1-11,19H
InChIKeyPTKHIVVGXNYJFL-UHFFFAOYSA-N
XLogP3.42
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine
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N-[(1-ethylpyrrolidin-2-yl)methyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-amine
CID 664284
3-Imidazol-1-ylmethyl-1H-indole
CID 792486
3-[3-(4-Benzyl-piperidin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
CID 18975369
3-(3-Piperazin-1-yl-propyl)-5-[1,2,4]triazol-4-yl-1H-indole
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CID 165348
UK 34787
CID 194468

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(1,2,4-triazol-1-yl)-1H-indole?
The IUPAC name of 2-phenyl-3-(1,2,4-triazol-1-yl)-1H-indole (CID 44614418) is 2-phenyl-3-(1,2,4-triazol-1-yl)-1H-indole.
What is the SMILES notation for 2-phenyl-3-(1,2,4-triazol-1-yl)-1H-indole?
The canonical SMILES for 2-phenyl-3-(1,2,4-triazol-1-yl)-1H-indole is c1ccc(-c2[nH]c3ccccc3c2-n2cncn2)cc1.
What is the InChIKey of 2-phenyl-3-(1,2,4-triazol-1-yl)-1H-indole?
The InChIKey is PTKHIVVGXNYJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-2-6-12(7-3-1)15-16(20-11-17-10-18-20)13-8-4-5-9-14(13)19-15/h1-11,19H.
What are the key properties of 2-phenyl-3-(1,2,4-triazol-1-yl)-1H-indole?
2-phenyl-3-(1,2,4-triazol-1-yl)-1H-indole has a molecular weight of 260.30 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(1,2,4-triazol-1-yl)-1H-indole is sourced from PubChem (CID 44614418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).