3-(5-iodo-2-pyridinyl)-5-methyltriazolo[4,5-d]pyrimidine

C10H7IN6 — CID 144695383

IUPAC3-(5-iodo-2-pyridinyl)-5-methyltriazolo[4,5-d]pyrimidine
SMILESCc1ncc2nnn(-c3ccc(I)cn3)c2n1
InChIInChI=1S/C10H7IN6/c1-6-12-5-8-10(14-6)17(16-15-8)9-3-2-7(11)4-13-9/h2-5H,1H3
InChIKeyJAMCPUAAFUFAAZ-UHFFFAOYSA-N
MW338.11 g/mol
LogP1.52
Rot. Bonds1

About 3-(5-iodo-2-pyridinyl)-5-methyltriazolo[4,5-d]pyrimidine

3-(5-iodo-2-pyridinyl)-5-methyltriazolo[4,5-d]pyrimidine (PubChem CID 144695383) has the molecular formula C10H7IN6 and a molecular weight of 338.11 g/mol. Its IUPAC name is 3-(5-iodo-2-pyridinyl)-5-methyltriazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-(5-iodo-2-pyridinyl)-5-methyltriazolo[4,5-d]pyrimidine
PubChem CID144695383
Molecular FormulaC10H7IN6
Molecular Weight338.11 g/mol
Exact Mass337.98
IUPAC Name3-(5-iodo-2-pyridinyl)-5-methyltriazolo[4,5-d]pyrimidine
SMILESCc1ncc2nnn(-c3ccc(I)cn3)c2n1
InChIInChI=1S/C10H7IN6/c1-6-12-5-8-10(14-6)17(16-15-8)9-3-2-7(11)4-13-9/h2-5H,1H3
InChIKeyJAMCPUAAFUFAAZ-UHFFFAOYSA-N
XLogP1.52
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.11
LogP ≤ 51.52
H-Bond Donors ≤ 50
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-(5-iodo-2-pyridinyl)-5-methyltriazolo[4,5-d]pyrimidine?
The IUPAC name of 3-(5-iodo-2-pyridinyl)-5-methyltriazolo[4,5-d]pyrimidine (CID 144695383) is 3-(5-iodo-2-pyridinyl)-5-methyltriazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-(5-iodo-2-pyridinyl)-5-methyltriazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-(5-iodo-2-pyridinyl)-5-methyltriazolo[4,5-d]pyrimidine is Cc1ncc2nnn(-c3ccc(I)cn3)c2n1.
What is the InChIKey of 3-(5-iodo-2-pyridinyl)-5-methyltriazolo[4,5-d]pyrimidine?
The InChIKey is JAMCPUAAFUFAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IN6/c1-6-12-5-8-10(14-6)17(16-15-8)9-3-2-7(11)4-13-9/h2-5H,1H3.
What are the key properties of 3-(5-iodo-2-pyridinyl)-5-methyltriazolo[4,5-d]pyrimidine?
3-(5-iodo-2-pyridinyl)-5-methyltriazolo[4,5-d]pyrimidine has a molecular weight of 338.11 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-iodo-2-pyridinyl)-5-methyltriazolo[4,5-d]pyrimidine is sourced from PubChem (CID 144695383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).