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

C17H14N4 — CID 56708546

IUPAC5-methyl-3-[3-(1,2,4-triazol-4-yl)phenyl]-1H-indole
SMILESCc1ccc2[nH]cc(-c3cccc(-n4cnnc4)c3)c2c1
InChIInChI=1S/C17H14N4/c1-12-5-6-17-15(7-12)16(9-18-17)13-3-2-4-14(8-13)21-10-19-20-11-21/h2-11,18H,1H3
InChIKeySNEAJWQRGKEISH-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.72
Rot. Bonds2

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

5-methyl-3-[3-(1,2,4-triazol-4-yl)phenyl]-1H-indole (PubChem CID 56708546) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-methyl-3-[3-(1,2,4-triazol-4-yl)phenyl]-1H-indole.

Molecular Properties

Compound Name5-methyl-3-[3-(1,2,4-triazol-4-yl)phenyl]-1H-indole
PubChem CID56708546
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name5-methyl-3-[3-(1,2,4-triazol-4-yl)phenyl]-1H-indole
SMILESCc1ccc2[nH]cc(-c3cccc(-n4cnnc4)c3)c2c1
InChIInChI=1S/C17H14N4/c1-12-5-6-17-15(7-12)16(9-18-17)13-3-2-4-14(8-13)21-10-19-20-11-21/h2-11,18H,1H3
InChIKeySNEAJWQRGKEISH-UHFFFAOYSA-N
XLogP3.72
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-(1,2,4-triazol-4-yl)phenyl]-1H-indole?
The IUPAC name of 5-methyl-3-[3-(1,2,4-triazol-4-yl)phenyl]-1H-indole (CID 56708546) is 5-methyl-3-[3-(1,2,4-triazol-4-yl)phenyl]-1H-indole.
What is the SMILES notation for 5-methyl-3-[3-(1,2,4-triazol-4-yl)phenyl]-1H-indole?
The canonical SMILES for 5-methyl-3-[3-(1,2,4-triazol-4-yl)phenyl]-1H-indole is Cc1ccc2[nH]cc(-c3cccc(-n4cnnc4)c3)c2c1.
What is the InChIKey of 5-methyl-3-[3-(1,2,4-triazol-4-yl)phenyl]-1H-indole?
The InChIKey is SNEAJWQRGKEISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-12-5-6-17-15(7-12)16(9-18-17)13-3-2-4-14(8-13)21-10-19-20-11-21/h2-11,18H,1H3.
What are the key properties of 5-methyl-3-[3-(1,2,4-triazol-4-yl)phenyl]-1H-indole?
5-methyl-3-[3-(1,2,4-triazol-4-yl)phenyl]-1H-indole has a molecular weight of 274.33 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-(1,2,4-triazol-4-yl)phenyl]-1H-indole is sourced from PubChem (CID 56708546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).