3,4-dichloro-2H-pyrazolo[3,4-d]pyrimidine

C5H2Cl2N4 — CID 76847025

IUPAC3,4-dichloro-2H-pyrazolo[3,4-d]pyrimidine
SMILESClc1ncnc2n[nH]c(Cl)c12
InChIInChI=1S/C5H2Cl2N4/c6-3-2-4(7)10-11-5(2)9-1-8-3/h1H,(H,8,9,10,11)
InChIKeyJRCNRZSBSWQTRJ-UHFFFAOYSA-N
MW189.01 g/mol
LogP1.66
Rot. Bonds

About 3,4-dichloro-2H-pyrazolo[3,4-d]pyrimidine

3,4-dichloro-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 76847025) has the molecular formula C5H2Cl2N4 and a molecular weight of 189.01 g/mol. Its IUPAC name is 3,4-dichloro-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name3,4-dichloro-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID76847025
Molecular FormulaC5H2Cl2N4
Molecular Weight189.01 g/mol
Exact Mass187.97
IUPAC Name3,4-dichloro-2H-pyrazolo[3,4-d]pyrimidine
SMILESClc1ncnc2n[nH]c(Cl)c12
InChIInChI=1S/C5H2Cl2N4/c6-3-2-4(7)10-11-5(2)9-1-8-3/h1H,(H,8,9,10,11)
InChIKeyJRCNRZSBSWQTRJ-UHFFFAOYSA-N
XLogP1.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.01
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4-dichloro-2H-pyrazolo[3,4-d]pyrimidine 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 3,4-dichloro-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 3,4-dichloro-2H-pyrazolo[3,4-d]pyrimidine (CID 76847025) is 3,4-dichloro-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 3,4-dichloro-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 3,4-dichloro-2H-pyrazolo[3,4-d]pyrimidine is Clc1ncnc2n[nH]c(Cl)c12.
What is the InChIKey of 3,4-dichloro-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is JRCNRZSBSWQTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2N4/c6-3-2-4(7)10-11-5(2)9-1-8-3/h1H,(H,8,9,10,11).
What are the key properties of 3,4-dichloro-2H-pyrazolo[3,4-d]pyrimidine?
3,4-dichloro-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 189.01 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 76847025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).