5-iodo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidine

C7H6IN5O — CID 106597704

IUPAC5-iodo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidine
SMILESCn1cnc(Oc2ncncc2I)n1
InChIInChI=1S/C7H6IN5O/c1-13-4-11-7(12-13)14-6-5(8)2-9-3-10-6/h2-4H,1H3
InChIKeyAQMBKGIGELGZDP-UHFFFAOYSA-N
MW303.06 g/mol
LogP1.00
Rot. Bonds2

About 5-iodo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidine

5-iodo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidine (PubChem CID 106597704) has the molecular formula C7H6IN5O and a molecular weight of 303.06 g/mol. Its IUPAC name is 5-iodo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidine.

Molecular Properties

Compound Name5-iodo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidine
PubChem CID106597704
Molecular FormulaC7H6IN5O
Molecular Weight303.06 g/mol
Exact Mass302.96
IUPAC Name5-iodo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidine
SMILESCn1cnc(Oc2ncncc2I)n1
InChIInChI=1S/C7H6IN5O/c1-13-4-11-7(12-13)14-6-5(8)2-9-3-10-6/h2-4H,1H3
InChIKeyAQMBKGIGELGZDP-UHFFFAOYSA-N
XLogP1.00
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.06
LogP ≤ 51.00
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 5-iodo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidine?
The IUPAC name of 5-iodo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidine (CID 106597704) is 5-iodo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidine.
What is the SMILES notation for 5-iodo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidine?
The canonical SMILES for 5-iodo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidine is Cn1cnc(Oc2ncncc2I)n1.
What is the InChIKey of 5-iodo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidine?
The InChIKey is AQMBKGIGELGZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6IN5O/c1-13-4-11-7(12-13)14-6-5(8)2-9-3-10-6/h2-4H,1H3.
What are the key properties of 5-iodo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidine?
5-iodo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidine has a molecular weight of 303.06 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidine is sourced from PubChem (CID 106597704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).