[[amino(nitramido)methylidene]amino]-[(2,4-dimethoxyphenyl)methylidene]azanium

C10H14N5O4+ — CID 6748076

IUPAC[[amino(nitramido)methylidene]amino]-[(2,4-dimethoxyphenyl)methylidene]azanium
SMILESCOc1ccc(C=[NH+]N=C(N)N[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C10H13N5O4/c1-18-8-4-3-7(9(5-8)19-2)6-12-13-10(11)14-15(16)17/h3-6H,1-2H3,(H3,11,13,14)/p+1
InChIKeyJBGNSGHDTKKNKE-UHFFFAOYSA-O
MW268.25 g/mol
LogP-1.79
Rot. Bonds5

About [[amino(nitramido)methylidene]amino]-[(2,4-dimethoxyphenyl)methylidene]azanium

[[amino(nitramido)methylidene]amino]-[(2,4-dimethoxyphenyl)methylidene]azanium (PubChem CID 6748076) has the molecular formula C10H14N5O4+ and a molecular weight of 268.25 g/mol. Its IUPAC name is [[amino(nitramido)methylidene]amino]-[(2,4-dimethoxyphenyl)methylidene]azanium.

Molecular Properties

Compound Name[[amino(nitramido)methylidene]amino]-[(2,4-dimethoxyphenyl)methylidene]azanium
PubChem CID6748076
Molecular FormulaC10H14N5O4+
Molecular Weight268.25 g/mol
Exact Mass268.10
IUPAC Name[[amino(nitramido)methylidene]amino]-[(2,4-dimethoxyphenyl)methylidene]azanium
SMILESCOc1ccc(C=[NH+]N=C(N)N[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C10H13N5O4/c1-18-8-4-3-7(9(5-8)19-2)6-12-13-10(11)14-15(16)17/h3-6H,1-2H3,(H3,11,13,14)/p+1
InChIKeyJBGNSGHDTKKNKE-UHFFFAOYSA-O
XLogP-1.79
TPSA125.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 5-1.79
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [[amino(nitramido)methylidene]amino]-[(2,4-dimethoxyphenyl)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

Related Compounds

(E)-[[amino(nitramido)methylidene]amino]-[(4-methoxyphenyl)methylidene]azanium
CID 6943517
1-[(2,4-dimethoxyphenyl)methylideneamino]-2-nitroguanidine
CID 135444547
2,4-dimethoxy-1-[(Z)-2-nitroprop-1-enyl]benzene
CID 5374508
2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6000919
N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide
CID 6907755
1-[2-(2,4-dimethoxyphenyl)ethenyl]-2,4-dinitrobenzene
CID 4178347
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3,5-trinitrobenzene
CID 154881687
1-(2,4-dimethoxyphenyl)-N-methylmethanimine
CID 518060
ethyl (Z)-3-(4-methoxy-2-methylphenyl)-2-nitroprop-2-enoate
CID 11043669
(E)-2-bromo-3-(2,4-dimethoxyphenyl)prop-2-enal
CID 143192374
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
(E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one
CID 10131464

Frequently Asked Questions

What is the IUPAC name of [[amino(nitramido)methylidene]amino]-[(2,4-dimethoxyphenyl)methylidene]azanium?
The IUPAC name of [[amino(nitramido)methylidene]amino]-[(2,4-dimethoxyphenyl)methylidene]azanium (CID 6748076) is [[amino(nitramido)methylidene]amino]-[(2,4-dimethoxyphenyl)methylidene]azanium.
What is the SMILES notation for [[amino(nitramido)methylidene]amino]-[(2,4-dimethoxyphenyl)methylidene]azanium?
The canonical SMILES for [[amino(nitramido)methylidene]amino]-[(2,4-dimethoxyphenyl)methylidene]azanium is COc1ccc(C=[NH+]N=C(N)N[N+](=O)[O-])c(OC)c1.
What is the InChIKey of [[amino(nitramido)methylidene]amino]-[(2,4-dimethoxyphenyl)methylidene]azanium?
The InChIKey is JBGNSGHDTKKNKE-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13N5O4/c1-18-8-4-3-7(9(5-8)19-2)6-12-13-10(11)14-15(16)17/h3-6H,1-2H3,(H3,11,13,14)/p+1.
What are the key properties of [[amino(nitramido)methylidene]amino]-[(2,4-dimethoxyphenyl)methylidene]azanium?
[[amino(nitramido)methylidene]amino]-[(2,4-dimethoxyphenyl)methylidene]azanium has a molecular weight of 268.25 g/mol, XLogP of -1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino(nitramido)methylidene]amino]-[(2,4-dimethoxyphenyl)methylidene]azanium is sourced from PubChem (CID 6748076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).