N-iodo-1-(1,3,4-oxadiazol-2-yl)methanamine

C3H4IN3O — CID 149431276

IUPACN-iodo-1-(1,3,4-oxadiazol-2-yl)methanamine
SMILESINCc1nnco1
InChIInChI=1S/C3H4IN3O/c4-5-1-3-7-6-2-8-3/h2,5H,1H2
InChIKeyYVCKNPVIVWDZRH-UHFFFAOYSA-N
MW224.99 g/mol
LogP0.51
Rot. Bonds2

About N-iodo-1-(1,3,4-oxadiazol-2-yl)methanamine

N-iodo-1-(1,3,4-oxadiazol-2-yl)methanamine (PubChem CID 149431276) has the molecular formula C3H4IN3O and a molecular weight of 224.99 g/mol. Its IUPAC name is N-iodo-1-(1,3,4-oxadiazol-2-yl)methanamine.

Molecular Properties

Compound NameN-iodo-1-(1,3,4-oxadiazol-2-yl)methanamine
PubChem CID149431276
Molecular FormulaC3H4IN3O
Molecular Weight224.99 g/mol
Exact Mass224.94
IUPAC NameN-iodo-1-(1,3,4-oxadiazol-2-yl)methanamine
SMILESINCc1nnco1
InChIInChI=1S/C3H4IN3O/c4-5-1-3-7-6-2-8-3/h2,5H,1H2
InChIKeyYVCKNPVIVWDZRH-UHFFFAOYSA-N
XLogP0.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.99
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-iodo-1-(1,3,4-oxadiazol-2-yl)methanamine?
The IUPAC name of N-iodo-1-(1,3,4-oxadiazol-2-yl)methanamine (CID 149431276) is N-iodo-1-(1,3,4-oxadiazol-2-yl)methanamine.
What is the SMILES notation for N-iodo-1-(1,3,4-oxadiazol-2-yl)methanamine?
The canonical SMILES for N-iodo-1-(1,3,4-oxadiazol-2-yl)methanamine is INCc1nnco1.
What is the InChIKey of N-iodo-1-(1,3,4-oxadiazol-2-yl)methanamine?
The InChIKey is YVCKNPVIVWDZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4IN3O/c4-5-1-3-7-6-2-8-3/h2,5H,1H2.
What are the key properties of N-iodo-1-(1,3,4-oxadiazol-2-yl)methanamine?
N-iodo-1-(1,3,4-oxadiazol-2-yl)methanamine has a molecular weight of 224.99 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-1-(1,3,4-oxadiazol-2-yl)methanamine is sourced from PubChem (CID 149431276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).