4-(3-methyltriazol-4-yl)-2,3-dihydro-1H-indole

C11H12N4 — CID 114689526

IUPAC4-(3-methyltriazol-4-yl)-2,3-dihydro-1H-indole
SMILESCn1nncc1-c1cccc2c1CCN2
InChIInChI=1S/C11H12N4/c1-15-11(7-13-14-15)9-3-2-4-10-8(9)5-6-12-10/h2-4,7,12H,5-6H2,1H3
InChIKeyKEJGEDXURRIMGK-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.45
Rot. Bonds1

About 4-(3-methyltriazol-4-yl)-2,3-dihydro-1H-indole

4-(3-methyltriazol-4-yl)-2,3-dihydro-1H-indole (PubChem CID 114689526) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 4-(3-methyltriazol-4-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-(3-methyltriazol-4-yl)-2,3-dihydro-1H-indole
PubChem CID114689526
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name4-(3-methyltriazol-4-yl)-2,3-dihydro-1H-indole
SMILESCn1nncc1-c1cccc2c1CCN2
InChIInChI=1S/C11H12N4/c1-15-11(7-13-14-15)9-3-2-4-10-8(9)5-6-12-10/h2-4,7,12H,5-6H2,1H3
InChIKeyKEJGEDXURRIMGK-UHFFFAOYSA-N
XLogP1.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-methyltriazol-4-yl)-2,3-dihydro-1H-indole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyltriazol-4-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 4-(3-methyltriazol-4-yl)-2,3-dihydro-1H-indole (CID 114689526) is 4-(3-methyltriazol-4-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-(3-methyltriazol-4-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 4-(3-methyltriazol-4-yl)-2,3-dihydro-1H-indole is Cn1nncc1-c1cccc2c1CCN2.
What is the InChIKey of 4-(3-methyltriazol-4-yl)-2,3-dihydro-1H-indole?
The InChIKey is KEJGEDXURRIMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-15-11(7-13-14-15)9-3-2-4-10-8(9)5-6-12-10/h2-4,7,12H,5-6H2,1H3.
What are the key properties of 4-(3-methyltriazol-4-yl)-2,3-dihydro-1H-indole?
4-(3-methyltriazol-4-yl)-2,3-dihydro-1H-indole has a molecular weight of 200.25 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyltriazol-4-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 114689526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).