(7-amino-2-methoxyphenoxazin-3-ylidene)azanium

C13H12N3O2+ — CID 94005720

IUPAC(7-amino-2-methoxyphenoxazin-3-ylidene)azanium
SMILESCOc1cc2nc3ccc(N)cc3oc-2cc1=[NH2+]
InChIInChI=1S/C13H11N3O2/c1-17-11-6-10-13(5-8(11)15)18-12-4-7(14)2-3-9(12)16-10/h2-6,15H,14H2,1H3/p+1
InChIKeyLOOJHTTVANNMFU-UHFFFAOYSA-O
MW242.26 g/mol
LogP0.18
Rot. Bonds1

About (7-amino-2-methoxyphenoxazin-3-ylidene)azanium

(7-amino-2-methoxyphenoxazin-3-ylidene)azanium (PubChem CID 94005720) has the molecular formula C13H12N3O2+ and a molecular weight of 242.26 g/mol. Its IUPAC name is (7-amino-2-methoxyphenoxazin-3-ylidene)azanium.

Molecular Properties

Compound Name(7-amino-2-methoxyphenoxazin-3-ylidene)azanium
PubChem CID94005720
Molecular FormulaC13H12N3O2+
Molecular Weight242.26 g/mol
Exact Mass242.09
IUPAC Name(7-amino-2-methoxyphenoxazin-3-ylidene)azanium
SMILESCOc1cc2nc3ccc(N)cc3oc-2cc1=[NH2+]
InChIInChI=1S/C13H11N3O2/c1-17-11-6-10-13(5-8(11)15)18-12-4-7(14)2-3-9(12)16-10/h2-6,15H,14H2,1H3/p+1
InChIKeyLOOJHTTVANNMFU-UHFFFAOYSA-O
XLogP0.18
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-amino-2-methoxyphenoxazin-3-ylidene)azanium?
The IUPAC name of (7-amino-2-methoxyphenoxazin-3-ylidene)azanium (CID 94005720) is (7-amino-2-methoxyphenoxazin-3-ylidene)azanium.
What is the SMILES notation for (7-amino-2-methoxyphenoxazin-3-ylidene)azanium?
The canonical SMILES for (7-amino-2-methoxyphenoxazin-3-ylidene)azanium is COc1cc2nc3ccc(N)cc3oc-2cc1=[NH2+].
What is the InChIKey of (7-amino-2-methoxyphenoxazin-3-ylidene)azanium?
The InChIKey is LOOJHTTVANNMFU-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H11N3O2/c1-17-11-6-10-13(5-8(11)15)18-12-4-7(14)2-3-9(12)16-10/h2-6,15H,14H2,1H3/p+1.
What are the key properties of (7-amino-2-methoxyphenoxazin-3-ylidene)azanium?
(7-amino-2-methoxyphenoxazin-3-ylidene)azanium has a molecular weight of 242.26 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-2-methoxyphenoxazin-3-ylidene)azanium is sourced from PubChem (CID 94005720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).