N-(2-aminoethyl)-2,4,6-triiodobenzohydrazide

C9H10I3N3O — CID 70426906

IUPACN-(2-aminoethyl)-2,4,6-triiodobenzohydrazide
SMILESNCCN(N)C(=O)c1c(I)cc(I)cc1I
InChIInChI=1S/C9H10I3N3O/c10-5-3-6(11)8(7(12)4-5)9(16)15(14)2-1-13/h3-4H,1-2,13-14H2
InChIKeyLKSHKLOYUHOGRB-UHFFFAOYSA-N
MW556.91 g/mol
LogP1.77
Rot. Bonds3

About N-(2-aminoethyl)-2,4,6-triiodobenzohydrazide

N-(2-aminoethyl)-2,4,6-triiodobenzohydrazide (PubChem CID 70426906) has the molecular formula C9H10I3N3O and a molecular weight of 556.91 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,4,6-triiodobenzohydrazide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,4,6-triiodobenzohydrazide
PubChem CID70426906
Molecular FormulaC9H10I3N3O
Molecular Weight556.91 g/mol
Exact Mass556.80
IUPAC NameN-(2-aminoethyl)-2,4,6-triiodobenzohydrazide
SMILESNCCN(N)C(=O)c1c(I)cc(I)cc1I
InChIInChI=1S/C9H10I3N3O/c10-5-3-6(11)8(7(12)4-5)9(16)15(14)2-1-13/h3-4H,1-2,13-14H2
InChIKeyLKSHKLOYUHOGRB-UHFFFAOYSA-N
XLogP1.77
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.91
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,4,6-triiodobenzohydrazide?
The IUPAC name of N-(2-aminoethyl)-2,4,6-triiodobenzohydrazide (CID 70426906) is N-(2-aminoethyl)-2,4,6-triiodobenzohydrazide.
What is the SMILES notation for N-(2-aminoethyl)-2,4,6-triiodobenzohydrazide?
The canonical SMILES for N-(2-aminoethyl)-2,4,6-triiodobenzohydrazide is NCCN(N)C(=O)c1c(I)cc(I)cc1I.
What is the InChIKey of N-(2-aminoethyl)-2,4,6-triiodobenzohydrazide?
The InChIKey is LKSHKLOYUHOGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10I3N3O/c10-5-3-6(11)8(7(12)4-5)9(16)15(14)2-1-13/h3-4H,1-2,13-14H2.
What are the key properties of N-(2-aminoethyl)-2,4,6-triiodobenzohydrazide?
N-(2-aminoethyl)-2,4,6-triiodobenzohydrazide has a molecular weight of 556.91 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,4,6-triiodobenzohydrazide is sourced from PubChem (CID 70426906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).