4-iodopyrrolo[2,1-f][1,2,4]triazine

C6H4IN3 — CID 143866204

IUPAC4-iodopyrrolo[2,1-f][1,2,4]triazine
SMILESIc1ncnn2cccc12
InChIInChI=1S/C6H4IN3/c7-6-5-2-1-3-10(5)9-4-8-6/h1-4H
InChIKeyRINRRWDHGQAUGT-UHFFFAOYSA-N
MW245.02 g/mol
LogP1.33
Rot. Bonds

About 4-iodopyrrolo[2,1-f][1,2,4]triazine

4-iodopyrrolo[2,1-f][1,2,4]triazine (PubChem CID 143866204) has the molecular formula C6H4IN3 and a molecular weight of 245.02 g/mol. Its IUPAC name is 4-iodopyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-iodopyrrolo[2,1-f][1,2,4]triazine
PubChem CID143866204
Molecular FormulaC6H4IN3
Molecular Weight245.02 g/mol
Exact Mass244.94
IUPAC Name4-iodopyrrolo[2,1-f][1,2,4]triazine
SMILESIc1ncnn2cccc12
InChIInChI=1S/C6H4IN3/c7-6-5-2-1-3-10(5)9-4-8-6/h1-4H
InChIKeyRINRRWDHGQAUGT-UHFFFAOYSA-N
XLogP1.33
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.02
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodopyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 4-iodopyrrolo[2,1-f][1,2,4]triazine (CID 143866204) is 4-iodopyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 4-iodopyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 4-iodopyrrolo[2,1-f][1,2,4]triazine is Ic1ncnn2cccc12.
What is the InChIKey of 4-iodopyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is RINRRWDHGQAUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4IN3/c7-6-5-2-1-3-10(5)9-4-8-6/h1-4H.
What are the key properties of 4-iodopyrrolo[2,1-f][1,2,4]triazine?
4-iodopyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 245.02 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodopyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 143866204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).