3-iodo-2H-pyrazolo[4,3-d]pyrimidine;pyrrolidine-2,5-dione

C9H8IN5O2 — CID 160971007

IUPAC3-iodo-2H-pyrazolo[4,3-d]pyrimidine;pyrrolidine-2,5-dione
SMILESIc1[nH]nc2cncnc12.O=C1CCC(=O)N1
InChIInChI=1S/C5H3IN4.C4H5NO2/c6-5-4-3(9-10-5)1-7-2-8-4;6-3-1-2-4(7)5-3/h1-2H,(H,9,10);1-2H2,(H,5,6,7)
InChIKeySYGDZTPIUWHELL-UHFFFAOYSA-N
MW345.10 g/mol
LogP0.38
Rot. Bonds

About 3-iodo-2H-pyrazolo[4,3-d]pyrimidine;pyrrolidine-2,5-dione

3-iodo-2H-pyrazolo[4,3-d]pyrimidine;pyrrolidine-2,5-dione (PubChem CID 160971007) has the molecular formula C9H8IN5O2 and a molecular weight of 345.10 g/mol. Its IUPAC name is 3-iodo-2H-pyrazolo[4,3-d]pyrimidine;pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-iodo-2H-pyrazolo[4,3-d]pyrimidine;pyrrolidine-2,5-dione
PubChem CID160971007
Molecular FormulaC9H8IN5O2
Molecular Weight345.10 g/mol
Exact Mass344.97
IUPAC Name3-iodo-2H-pyrazolo[4,3-d]pyrimidine;pyrrolidine-2,5-dione
SMILESIc1[nH]nc2cncnc12.O=C1CCC(=O)N1
InChIInChI=1S/C5H3IN4.C4H5NO2/c6-5-4-3(9-10-5)1-7-2-8-4;6-3-1-2-4(7)5-3/h1-2H,(H,9,10);1-2H2,(H,5,6,7)
InChIKeySYGDZTPIUWHELL-UHFFFAOYSA-N
XLogP0.38
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.10
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-2H-pyrazolo[4,3-d]pyrimidine;pyrrolidine-2,5-dione?
The IUPAC name of 3-iodo-2H-pyrazolo[4,3-d]pyrimidine;pyrrolidine-2,5-dione (CID 160971007) is 3-iodo-2H-pyrazolo[4,3-d]pyrimidine;pyrrolidine-2,5-dione.
What is the SMILES notation for 3-iodo-2H-pyrazolo[4,3-d]pyrimidine;pyrrolidine-2,5-dione?
The canonical SMILES for 3-iodo-2H-pyrazolo[4,3-d]pyrimidine;pyrrolidine-2,5-dione is Ic1[nH]nc2cncnc12.O=C1CCC(=O)N1.
What is the InChIKey of 3-iodo-2H-pyrazolo[4,3-d]pyrimidine;pyrrolidine-2,5-dione?
The InChIKey is SYGDZTPIUWHELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3IN4.C4H5NO2/c6-5-4-3(9-10-5)1-7-2-8-4;6-3-1-2-4(7)5-3/h1-2H,(H,9,10);1-2H2,(H,5,6,7).
What are the key properties of 3-iodo-2H-pyrazolo[4,3-d]pyrimidine;pyrrolidine-2,5-dione?
3-iodo-2H-pyrazolo[4,3-d]pyrimidine;pyrrolidine-2,5-dione has a molecular weight of 345.10 g/mol, XLogP of 0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2H-pyrazolo[4,3-d]pyrimidine;pyrrolidine-2,5-dione is sourced from PubChem (CID 160971007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).