1λ3-ioda-3-azacyclohexa-2,4,6-triene

C4H4IN — CID 143149436

IUPAC1λ3-ioda-3-azacyclohexa-2,4,6-triene
SMILESC1=CN=CI=C1
InChIInChI=1S/C4H4IN/c1-2-5-4-6-3-1/h1-4H
InChIKeyDNGHOAGNKVBWHS-UHFFFAOYSA-N
MW192.99 g/mol
LogP1.31
Rot. Bonds

About 1λ3-ioda-3-azacyclohexa-2,4,6-triene

1λ3-ioda-3-azacyclohexa-2,4,6-triene (PubChem CID 143149436) has the molecular formula C4H4IN and a molecular weight of 192.99 g/mol. Its IUPAC name is 1λ3-ioda-3-azacyclohexa-2,4,6-triene.

Molecular Properties

Compound Name1λ3-ioda-3-azacyclohexa-2,4,6-triene
PubChem CID143149436
Molecular FormulaC4H4IN
Molecular Weight192.99 g/mol
Exact Mass192.94
IUPAC Name1λ3-ioda-3-azacyclohexa-2,4,6-triene
SMILESC1=CN=CI=C1
InChIInChI=1S/C4H4IN/c1-2-5-4-6-3-1/h1-4H
InChIKeyDNGHOAGNKVBWHS-UHFFFAOYSA-N
XLogP1.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.99
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1λ3-ioda-3-azacyclohexa-2,4,6-triene?
The IUPAC name of 1λ3-ioda-3-azacyclohexa-2,4,6-triene (CID 143149436) is 1λ3-ioda-3-azacyclohexa-2,4,6-triene.
What is the SMILES notation for 1λ3-ioda-3-azacyclohexa-2,4,6-triene?
The canonical SMILES for 1λ3-ioda-3-azacyclohexa-2,4,6-triene is C1=CN=CI=C1.
What is the InChIKey of 1λ3-ioda-3-azacyclohexa-2,4,6-triene?
The InChIKey is DNGHOAGNKVBWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4IN/c1-2-5-4-6-3-1/h1-4H.
What are the key properties of 1λ3-ioda-3-azacyclohexa-2,4,6-triene?
1λ3-ioda-3-azacyclohexa-2,4,6-triene has a molecular weight of 192.99 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1λ3-ioda-3-azacyclohexa-2,4,6-triene is sourced from PubChem (CID 143149436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).