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

C12H12N4 — CID 56703125

IUPAC3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-indole
SMILESCn1cnnc1Cc1c[nH]c2ccccc12
InChIInChI=1S/C12H12N4/c1-16-8-14-15-12(16)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6H2,1H3
InChIKeyCDEBIYLYPZHVMV-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.89
Rot. Bonds2

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

3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-indole (PubChem CID 56703125) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-indole
PubChem CID56703125
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-indole
SMILESCn1cnnc1Cc1c[nH]c2ccccc12
InChIInChI=1S/C12H12N4/c1-16-8-14-15-12(16)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6H2,1H3
InChIKeyCDEBIYLYPZHVMV-UHFFFAOYSA-N
XLogP1.89
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-indole?
The IUPAC name of 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-indole (CID 56703125) is 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-indole?
The canonical SMILES for 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-indole is Cn1cnnc1Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-indole?
The InChIKey is CDEBIYLYPZHVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-16-8-14-15-12(16)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6H2,1H3.
What are the key properties of 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-indole?
3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-indole has a molecular weight of 212.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-indole is sourced from PubChem (CID 56703125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).