3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2,3-dihydro-1H-indole

C13H14N4 — CID 80565130

IUPAC3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2,3-dihydro-1H-indole
SMILESc1ccc2c(c1)NCC2c1nnc2n1CCC2
InChIInChI=1S/C13H14N4/c1-2-5-11-9(4-1)10(8-14-11)13-16-15-12-6-3-7-17(12)13/h1-2,4-5,10,14H,3,6-8H2
InChIKeySCNHWGFGSXICOW-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.78
Rot. Bonds1

About 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2,3-dihydro-1H-indole

3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2,3-dihydro-1H-indole (PubChem CID 80565130) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2,3-dihydro-1H-indole
PubChem CID80565130
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2,3-dihydro-1H-indole
SMILESc1ccc2c(c1)NCC2c1nnc2n1CCC2
InChIInChI=1S/C13H14N4/c1-2-5-11-9(4-1)10(8-14-11)13-16-15-12-6-3-7-17(12)13/h1-2,4-5,10,14H,3,6-8H2
InChIKeySCNHWGFGSXICOW-UHFFFAOYSA-N
XLogP1.78
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-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 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2,3-dihydro-1H-indole (CID 80565130) is 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2,3-dihydro-1H-indole is c1ccc2c(c1)NCC2c1nnc2n1CCC2.
What is the InChIKey of 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2,3-dihydro-1H-indole?
The InChIKey is SCNHWGFGSXICOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-2-5-11-9(4-1)10(8-14-11)13-16-15-12-6-3-7-17(12)13/h1-2,4-5,10,14H,3,6-8H2.
What are the key properties of 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2,3-dihydro-1H-indole?
3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2,3-dihydro-1H-indole has a molecular weight of 226.28 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 80565130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).