(7,9-diamino-6-methylphenoxazin-3-ylidene)-diethylazanium

C17H21N4O+ — CID 7156961

IUPAC(7,9-diamino-6-methylphenoxazin-3-ylidene)-diethylazanium
SMILESCC[N+](CC)=c1ccc2nc3c(N)cc(N)c(C)c3oc-2c1
InChIInChI=1S/C17H20N4O/c1-4-21(5-2)11-6-7-14-15(8-11)22-17-10(3)12(18)9-13(19)16(17)20-14/h6-9H,4-5H2,1-3H3,(H3,18,19)/p+1
InChIKeyAORLNDYYKJDWQR-UHFFFAOYSA-O
MW297.38 g/mol
LogP2.22
Rot. Bonds2

About (7,9-diamino-6-methylphenoxazin-3-ylidene)-diethylazanium

(7,9-diamino-6-methylphenoxazin-3-ylidene)-diethylazanium (PubChem CID 7156961) has the molecular formula C17H21N4O+ and a molecular weight of 297.38 g/mol. Its IUPAC name is (7,9-diamino-6-methylphenoxazin-3-ylidene)-diethylazanium.

Molecular Properties

Compound Name(7,9-diamino-6-methylphenoxazin-3-ylidene)-diethylazanium
PubChem CID7156961
Molecular FormulaC17H21N4O+
Molecular Weight297.38 g/mol
Exact Mass297.17
IUPAC Name(7,9-diamino-6-methylphenoxazin-3-ylidene)-diethylazanium
SMILESCC[N+](CC)=c1ccc2nc3c(N)cc(N)c(C)c3oc-2c1
InChIInChI=1S/C17H20N4O/c1-4-21(5-2)11-6-7-14-15(8-11)22-17-10(3)12(18)9-13(19)16(17)20-14/h6-9H,4-5H2,1-3H3,(H3,18,19)/p+1
InChIKeyAORLNDYYKJDWQR-UHFFFAOYSA-O
XLogP2.22
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.22
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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (7,9-diamino-6-methylphenoxazin-3-ylidene)-diethylazanium 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 (7,9-diamino-6-methylphenoxazin-3-ylidene)-diethylazanium?
The IUPAC name of (7,9-diamino-6-methylphenoxazin-3-ylidene)-diethylazanium (CID 7156961) is (7,9-diamino-6-methylphenoxazin-3-ylidene)-diethylazanium.
What is the SMILES notation for (7,9-diamino-6-methylphenoxazin-3-ylidene)-diethylazanium?
The canonical SMILES for (7,9-diamino-6-methylphenoxazin-3-ylidene)-diethylazanium is CC[N+](CC)=c1ccc2nc3c(N)cc(N)c(C)c3oc-2c1.
What is the InChIKey of (7,9-diamino-6-methylphenoxazin-3-ylidene)-diethylazanium?
The InChIKey is AORLNDYYKJDWQR-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H20N4O/c1-4-21(5-2)11-6-7-14-15(8-11)22-17-10(3)12(18)9-13(19)16(17)20-14/h6-9H,4-5H2,1-3H3,(H3,18,19)/p+1.
What are the key properties of (7,9-diamino-6-methylphenoxazin-3-ylidene)-diethylazanium?
(7,9-diamino-6-methylphenoxazin-3-ylidene)-diethylazanium has a molecular weight of 297.38 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7,9-diamino-6-methylphenoxazin-3-ylidene)-diethylazanium is sourced from PubChem (CID 7156961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).