2-(2,4-dichlorophenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine

C9H8Cl2N6 — CID 830036

IUPAC2-(2,4-dichlorophenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine
SMILESNc1[nH]nc2c1NN(c1ccc(Cl)cc1Cl)N2
InChIInChI=1S/C9H8Cl2N6/c10-4-1-2-6(5(11)3-4)17-15-7-8(12)13-14-9(7)16-17/h1-3,15H,(H4,12,13,14,16)
InChIKeyLAPOBIMQKNWHKA-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.47
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine

2-(2,4-dichlorophenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine (PubChem CID 830036) has the molecular formula C9H8Cl2N6 and a molecular weight of 271.11 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine
PubChem CID830036
Molecular FormulaC9H8Cl2N6
Molecular Weight271.11 g/mol
Exact Mass270.02
IUPAC Name2-(2,4-dichlorophenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine
SMILESNc1[nH]nc2c1NN(c1ccc(Cl)cc1Cl)N2
InChIInChI=1S/C9H8Cl2N6/c10-4-1-2-6(5(11)3-4)17-15-7-8(12)13-14-9(7)16-17/h1-3,15H,(H4,12,13,14,16)
InChIKeyLAPOBIMQKNWHKA-UHFFFAOYSA-N
XLogP2.47
TPSA82.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-dichlorophenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine 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 2-(2,4-dichlorophenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine?
The IUPAC name of 2-(2,4-dichlorophenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine (CID 830036) is 2-(2,4-dichlorophenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine is Nc1[nH]nc2c1NN(c1ccc(Cl)cc1Cl)N2.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine?
The InChIKey is LAPOBIMQKNWHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N6/c10-4-1-2-6(5(11)3-4)17-15-7-8(12)13-14-9(7)16-17/h1-3,15H,(H4,12,13,14,16).
What are the key properties of 2-(2,4-dichlorophenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine?
2-(2,4-dichlorophenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine has a molecular weight of 271.11 g/mol, XLogP of 2.47, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine is sourced from PubChem (CID 830036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).