5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-triazole-3,4-diamine

C10H12N6 — CID 80566338

IUPAC5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-triazole-3,4-diamine
SMILESNc1nnc(C2CNc3ccccc32)n1N
InChIInChI=1S/C10H12N6/c11-10-15-14-9(16(10)12)7-5-13-8-4-2-1-3-6(7)8/h1-4,7,13H,5,12H2,(H2,11,15)
InChIKeyFXVRTAAAKAAQNS-UHFFFAOYSA-N
MW216.25 g/mol
LogP0.13
Rot. Bonds1

About 5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-triazole-3,4-diamine

5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-triazole-3,4-diamine (PubChem CID 80566338) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-triazole-3,4-diamine.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-triazole-3,4-diamine
PubChem CID80566338
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-triazole-3,4-diamine
SMILESNc1nnc(C2CNc3ccccc32)n1N
InChIInChI=1S/C10H12N6/c11-10-15-14-9(16(10)12)7-5-13-8-4-2-1-3-6(7)8/h1-4,7,13H,5,12H2,(H2,11,15)
InChIKeyFXVRTAAAKAAQNS-UHFFFAOYSA-N
XLogP0.13
TPSA94.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-triazole-3,4-diamine 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 5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-triazole-3,4-diamine?
The IUPAC name of 5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-triazole-3,4-diamine (CID 80566338) is 5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-triazole-3,4-diamine.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-triazole-3,4-diamine?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-triazole-3,4-diamine is Nc1nnc(C2CNc3ccccc32)n1N.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-triazole-3,4-diamine?
The InChIKey is FXVRTAAAKAAQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c11-10-15-14-9(16(10)12)7-5-13-8-4-2-1-3-6(7)8/h1-4,7,13H,5,12H2,(H2,11,15).
What are the key properties of 5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-triazole-3,4-diamine?
5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-triazole-3,4-diamine has a molecular weight of 216.25 g/mol, XLogP of 0.13, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-triazole-3,4-diamine is sourced from PubChem (CID 80566338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).