2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1H-indole

C16H11ClN4 — CID 137234826

IUPAC2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1H-indole
SMILESClc1ccc(-c2n[nH]c(-c3cc4ccccc4[nH]3)n2)cc1
InChIInChI=1S/C16H11ClN4/c17-12-7-5-10(6-8-12)15-19-16(21-20-15)14-9-11-3-1-2-4-13(11)18-14/h1-9,18H,(H,19,20,21)
InChIKeyCDOXHDALAJGCIE-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.27
Rot. Bonds2

About 2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1H-indole

2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1H-indole (PubChem CID 137234826) has the molecular formula C16H11ClN4 and a molecular weight of 294.75 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1H-indole.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1H-indole
PubChem CID137234826
Molecular FormulaC16H11ClN4
Molecular Weight294.75 g/mol
Exact Mass294.07
IUPAC Name2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1H-indole
SMILESClc1ccc(-c2n[nH]c(-c3cc4ccccc4[nH]3)n2)cc1
InChIInChI=1S/C16H11ClN4/c17-12-7-5-10(6-8-12)15-19-16(21-20-15)14-9-11-3-1-2-4-13(11)18-14/h1-9,18H,(H,19,20,21)
InChIKeyCDOXHDALAJGCIE-UHFFFAOYSA-N
XLogP4.27
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)-5-(4-chlorophenyl)-1H-1,2,4-triazole
CID 141477531
5-(4-chloro-2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 61354585
3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole
CID 150089010
2-[1-(4-chlorophenyl)ethenyl]-1H-indole
CID 166072616
2-chloro-4-(1H-indol-2-yl)aniline
CID 150315319
4-(1H-indol-2-yl)phenol
CID 11287260
5-(2-chlorophenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole
CID 4730439
5-benzyl-3-(4-chlorophenyl)-1H-1,2,4-triazole
CID 912792
2-(1H-diazirin-3-yl)-1H-indole
CID 137250152
methyl 4-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzoate
CID 176827252
1-[4-[5-(1H-indol-2-yl)-1H-1,2,4-triazol-3-yl]piperazin-1-yl]ethanone
CID 167986450
2-(1,2,4-triazin-3-yl)-1H-indole
CID 150191533

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1H-indole?
The IUPAC name of 2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1H-indole (CID 137234826) is 2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1H-indole.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1H-indole?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1H-indole is Clc1ccc(-c2n[nH]c(-c3cc4ccccc4[nH]3)n2)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1H-indole?
The InChIKey is CDOXHDALAJGCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4/c17-12-7-5-10(6-8-12)15-19-16(21-20-15)14-9-11-3-1-2-4-13(11)18-14/h1-9,18H,(H,19,20,21).
What are the key properties of 2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1H-indole?
2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1H-indole has a molecular weight of 294.75 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1H-indole is sourced from PubChem (CID 137234826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).