[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(2,6-dichlorophenyl)methylidene]azanium

C10H9Cl2N6O+ — CID 3638639

IUPAC[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(2,6-dichlorophenyl)methylidene]azanium
SMILESNC(=N[NH+]=Cc1c(Cl)cccc1Cl)c1nonc1N
InChIInChI=1S/C10H8Cl2N6O/c11-6-2-1-3-7(12)5(6)4-15-16-9(13)8-10(14)18-19-17-8/h1-4H,(H2,13,16)(H2,14,18)/p+1
InChIKeyFSXONGLVCTVNHG-UHFFFAOYSA-O
MW300.13 g/mol
LogP-0.22
Rot. Bonds3

About [[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(2,6-dichlorophenyl)methylidene]azanium

[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(2,6-dichlorophenyl)methylidene]azanium (PubChem CID 3638639) has the molecular formula C10H9Cl2N6O+ and a molecular weight of 300.13 g/mol. Its IUPAC name is [[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(2,6-dichlorophenyl)methylidene]azanium.

Molecular Properties

Compound Name[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(2,6-dichlorophenyl)methylidene]azanium
PubChem CID3638639
Molecular FormulaC10H9Cl2N6O+
Molecular Weight300.13 g/mol
Exact Mass299.02
IUPAC Name[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(2,6-dichlorophenyl)methylidene]azanium
SMILESNC(=N[NH+]=Cc1c(Cl)cccc1Cl)c1nonc1N
InChIInChI=1S/C10H8Cl2N6O/c11-6-2-1-3-7(12)5(6)4-15-16-9(13)8-10(14)18-19-17-8/h1-4H,(H2,13,16)(H2,14,18)/p+1
InChIKeyFSXONGLVCTVNHG-UHFFFAOYSA-O
XLogP-0.22
TPSA117.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(2,6-dichlorophenyl)methylidene]azanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(2,6-dichlorophenyl)methylidene]azanium?
The IUPAC name of [[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(2,6-dichlorophenyl)methylidene]azanium (CID 3638639) is [[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(2,6-dichlorophenyl)methylidene]azanium.
What is the SMILES notation for [[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(2,6-dichlorophenyl)methylidene]azanium?
The canonical SMILES for [[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(2,6-dichlorophenyl)methylidene]azanium is NC(=N[NH+]=Cc1c(Cl)cccc1Cl)c1nonc1N.
What is the InChIKey of [[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(2,6-dichlorophenyl)methylidene]azanium?
The InChIKey is FSXONGLVCTVNHG-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H8Cl2N6O/c11-6-2-1-3-7(12)5(6)4-15-16-9(13)8-10(14)18-19-17-8/h1-4H,(H2,13,16)(H2,14,18)/p+1.
What are the key properties of [[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(2,6-dichlorophenyl)methylidene]azanium?
[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(2,6-dichlorophenyl)methylidene]azanium has a molecular weight of 300.13 g/mol, XLogP of -0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(2,6-dichlorophenyl)methylidene]azanium is sourced from PubChem (CID 3638639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).