3-iodo-N-pyrazin-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine

C9H6IN7 — CID 166898226

IUPAC3-iodo-N-pyrazin-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESIc1[nH]nc2c(Nc3cnccn3)ncnc12
InChIInChI=1S/C9H6IN7/c10-8-6-7(16-17-8)9(14-4-13-6)15-5-3-11-1-2-12-5/h1-4H,(H,16,17)(H,12,13,14,15)
InChIKeyRDJAYQVOGUWZLT-UHFFFAOYSA-N
MW339.10 g/mol
LogP1.49
Rot. Bonds2

About 3-iodo-N-pyrazin-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine

3-iodo-N-pyrazin-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 166898226) has the molecular formula C9H6IN7 and a molecular weight of 339.10 g/mol. Its IUPAC name is 3-iodo-N-pyrazin-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-iodo-N-pyrazin-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID166898226
Molecular FormulaC9H6IN7
Molecular Weight339.10 g/mol
Exact Mass338.97
IUPAC Name3-iodo-N-pyrazin-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESIc1[nH]nc2c(Nc3cnccn3)ncnc12
InChIInChI=1S/C9H6IN7/c10-8-6-7(16-17-8)9(14-4-13-6)15-5-3-11-1-2-12-5/h1-4H,(H,16,17)(H,12,13,14,15)
InChIKeyRDJAYQVOGUWZLT-UHFFFAOYSA-N
XLogP1.49
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.10
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-pyrazin-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 3-iodo-N-pyrazin-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine (CID 166898226) is 3-iodo-N-pyrazin-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 3-iodo-N-pyrazin-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 3-iodo-N-pyrazin-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine is Ic1[nH]nc2c(Nc3cnccn3)ncnc12.
What is the InChIKey of 3-iodo-N-pyrazin-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is RDJAYQVOGUWZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6IN7/c10-8-6-7(16-17-8)9(14-4-13-6)15-5-3-11-1-2-12-5/h1-4H,(H,16,17)(H,12,13,14,15).
What are the key properties of 3-iodo-N-pyrazin-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
3-iodo-N-pyrazin-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 339.10 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-pyrazin-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 166898226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).