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

C5H3IN4 — CID 66721532

IUPAC3-iodo-2H-pyrazolo[4,3-d]pyrimidine
SMILESIc1[nH]nc2cncnc12
InChIInChI=1S/C5H3IN4/c6-5-4-3(9-10-5)1-7-2-8-4/h1-2H,(H,9,10)
InChIKeyQTEPSNRIXHMSKM-UHFFFAOYSA-N
MW246.01 g/mol
LogP0.96
Rot. Bonds

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

3-iodo-2H-pyrazolo[4,3-d]pyrimidine (PubChem CID 66721532) has the molecular formula C5H3IN4 and a molecular weight of 246.01 g/mol. Its IUPAC name is 3-iodo-2H-pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name3-iodo-2H-pyrazolo[4,3-d]pyrimidine
PubChem CID66721532
Molecular FormulaC5H3IN4
Molecular Weight246.01 g/mol
Exact Mass245.94
IUPAC Name3-iodo-2H-pyrazolo[4,3-d]pyrimidine
SMILESIc1[nH]nc2cncnc12
InChIInChI=1S/C5H3IN4/c6-5-4-3(9-10-5)1-7-2-8-4/h1-2H,(H,9,10)
InChIKeyQTEPSNRIXHMSKM-UHFFFAOYSA-N
XLogP0.96
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.01
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-iodo-2H-pyrazolo[4,3-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

Related Compounds

3-iodo-2H-pyrazolo[4,3-d]pyrimidine;pyrrolidine-2,5-dione
CID 160971007
ethane;3-methyl-2H-pyrazolo[4,3-d]pyrimidine
CID 143903022
2H-pyrazolo[4,3-d]pyrimidin-3-ylmethanamine
CID 82594672
2-(2H-pyrazolo[4,3-d]pyrimidin-3-ylmethoxy)propane-1,3-diol
CID 10198415
2-iodopyrimido[5,4-d]pyrimidine
CID 90082580
3-iodo-N-pyrazin-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 166898226
6-(4-fluorophenyl)pteridine
CID 175699654
3-chloro-[1,2]oxazolo[4,3-d]pyrimidine
CID 70024939
7,8-diiodoquinazoline
CID 174195964
[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
CID 75355591
6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine
CID 68841317
formaldehyde;bis(pteridine)
CID 174932722

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2H-pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 3-iodo-2H-pyrazolo[4,3-d]pyrimidine (CID 66721532) is 3-iodo-2H-pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 3-iodo-2H-pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 3-iodo-2H-pyrazolo[4,3-d]pyrimidine is Ic1[nH]nc2cncnc12.
What is the InChIKey of 3-iodo-2H-pyrazolo[4,3-d]pyrimidine?
The InChIKey is QTEPSNRIXHMSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3IN4/c6-5-4-3(9-10-5)1-7-2-8-4/h1-2H,(H,9,10).
What are the key properties of 3-iodo-2H-pyrazolo[4,3-d]pyrimidine?
3-iodo-2H-pyrazolo[4,3-d]pyrimidine has a molecular weight of 246.01 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2H-pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 66721532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).