(E)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(5-chloro-2-hydroxyphenyl)methylidene]azanium

C10H10ClN6O2+ — CID 135851325

IUPAC(E)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(5-chloro-2-hydroxyphenyl)methylidene]azanium
SMILESNC(=N/[NH+]=C/c1cc(Cl)ccc1O)c1nonc1N
InChIInChI=1S/C10H9ClN6O2/c11-6-1-2-7(18)5(3-6)4-14-15-9(12)8-10(13)17-19-16-8/h1-4,18H,(H2,12,15)(H2,13,17)/p+1/b14-4+
InChIKeyMLWKVHXKTLHYCA-LNKIKWGQSA-O
MW281.68 g/mol
LogP-1.17
Rot. Bonds3

About (E)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(5-chloro-2-hydroxyphenyl)methylidene]azanium

(E)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(5-chloro-2-hydroxyphenyl)methylidene]azanium (PubChem CID 135851325) has the molecular formula C10H10ClN6O2+ and a molecular weight of 281.68 g/mol. Its IUPAC name is (E)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(5-chloro-2-hydroxyphenyl)methylidene]azanium.

Molecular Properties

Compound Name(E)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(5-chloro-2-hydroxyphenyl)methylidene]azanium
PubChem CID135851325
Molecular FormulaC10H10ClN6O2+
Molecular Weight281.68 g/mol
Exact Mass281.05
IUPAC Name(E)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(5-chloro-2-hydroxyphenyl)methylidene]azanium
SMILESNC(=N/[NH+]=C/c1cc(Cl)ccc1O)c1nonc1N
InChIInChI=1S/C10H9ClN6O2/c11-6-1-2-7(18)5(3-6)4-14-15-9(12)8-10(13)17-19-16-8/h1-4,18H,(H2,12,15)(H2,13,17)/p+1/b14-4+
InChIKeyMLWKVHXKTLHYCA-LNKIKWGQSA-O
XLogP-1.17
TPSA137.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.68
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 (E)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(5-chloro-2-hydroxyphenyl)methylidene]azanium?
The IUPAC name of (E)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(5-chloro-2-hydroxyphenyl)methylidene]azanium (CID 135851325) is (E)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(5-chloro-2-hydroxyphenyl)methylidene]azanium.
What is the SMILES notation for (E)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(5-chloro-2-hydroxyphenyl)methylidene]azanium?
The canonical SMILES for (E)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(5-chloro-2-hydroxyphenyl)methylidene]azanium is NC(=N/[NH+]=C/c1cc(Cl)ccc1O)c1nonc1N.
What is the InChIKey of (E)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(5-chloro-2-hydroxyphenyl)methylidene]azanium?
The InChIKey is MLWKVHXKTLHYCA-LNKIKWGQSA-O. The full InChI is InChI=1S/C10H9ClN6O2/c11-6-1-2-7(18)5(3-6)4-14-15-9(12)8-10(13)17-19-16-8/h1-4,18H,(H2,12,15)(H2,13,17)/p+1/b14-4+.
What are the key properties of (E)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(5-chloro-2-hydroxyphenyl)methylidene]azanium?
(E)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(5-chloro-2-hydroxyphenyl)methylidene]azanium has a molecular weight of 281.68 g/mol, XLogP of -1.17, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(5-chloro-2-hydroxyphenyl)methylidene]azanium is sourced from PubChem (CID 135851325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).