Melarsen oxide

C9H9AsN6O — CID 30830

IUPAC2-N-(4-arsorosophenyl)-1,3,5-triazine-2,4,6-triamine
SMILESC1=CC(=CC=C1NC2=NC(=NC(=N2)N)N)[As]=O
InChIInChI=1S/C9H9AsN6O/c11-7-14-8(12)16-9(15-7)13-6-3-1-5(10-17)2-4-6/h1-4H,(H5,11,12,13,14,15,16)
InChIKeyYDKGKLBKFOIXPU-UHFFFAOYSA-N
MW292.13 g/mol
LogP—
Rot. Bonds2

About Melarsen oxide

Melarsen oxide (PubChem CID 30830) has the molecular formula C9H9AsN6O and a molecular weight of 292.13 g/mol. Its IUPAC name is 2-N-(4-arsorosophenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound NameMelarsen oxide
PubChem CID30830
Molecular FormulaC9H9AsN6O
Molecular Weight292.13 g/mol
Exact Mass292.01
IUPAC Name2-N-(4-arsorosophenyl)-1,3,5-triazine-2,4,6-triamine
SMILESC1=CC(=CC=C1NC2=NC(=NC(=N2)N)N)[As]=O
InChIInChI=1S/C9H9AsN6O/c11-7-14-8(12)16-9(15-7)13-6-3-1-5(10-17)2-4-6/h1-4H,(H5,11,12,13,14,15,16)
InChIKeyYDKGKLBKFOIXPU-UHFFFAOYSA-N
XLogP—
TPSA120.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity250

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze Melarsen oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Melarsoprol
CID 10311
Melarsomine Dihydrochloride
CID 123720
Amanozine
CID 10832
1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diphenyl-
CID 16088
N-Phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine
CID 9714
N-tert-Butyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 744423
s-Triazine, 2-amino-4-anilino-6-methyl-
CID 23908
Triphenylmelamine
CID 16084
Melarsomine
CID 65962
2-N-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 2737693
4,6-dimethoxy-N-phenyl-1,3,5-triazin-2-amine
CID 35020
6-Chloro-N-isopropyl-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 790766

Frequently Asked Questions

What is the IUPAC name of Melarsen oxide?
The IUPAC name of Melarsen oxide (CID 30830) is 2-N-(4-arsorosophenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for Melarsen oxide?
The canonical SMILES for Melarsen oxide is C1=CC(=CC=C1NC2=NC(=NC(=N2)N)N)[As]=O.
What is the InChIKey of Melarsen oxide?
The InChIKey is YDKGKLBKFOIXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9AsN6O/c11-7-14-8(12)16-9(15-7)13-6-3-1-5(10-17)2-4-6/h1-4H,(H5,11,12,13,14,15,16).
What are the key properties of Melarsen oxide?
Melarsen oxide has a molecular weight of 292.13 g/mol, XLogP of not available, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Melarsen oxide is sourced from PubChem (CID 30830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).