diaminomethylidene-[1-(methylamino)-2-nitroethenyl]azanium

C4H10N5O2+ — CID 7096896

IUPACdiaminomethylidene-[1-(methylamino)-2-nitroethenyl]azanium
SMILESCNC(=C[N+](=O)[O-])[NH+]=C(N)N
InChIInChI=1S/C4H9N5O2/c1-7-3(2-9(10)11)8-4(5)6/h2,7H,1H3,(H4,5,6,8)/p+1
InChIKeyLOSSUBRUNJRFOX-UHFFFAOYSA-O
MW160.16 g/mol
LogP-3.36
Rot. Bonds3

About diaminomethylidene-[1-(methylamino)-2-nitroethenyl]azanium

diaminomethylidene-[1-(methylamino)-2-nitroethenyl]azanium (PubChem CID 7096896) has the molecular formula C4H10N5O2+ and a molecular weight of 160.16 g/mol. Its IUPAC name is diaminomethylidene-[1-(methylamino)-2-nitroethenyl]azanium.

Molecular Properties

Compound Namediaminomethylidene-[1-(methylamino)-2-nitroethenyl]azanium
PubChem CID7096896
Molecular FormulaC4H10N5O2+
Molecular Weight160.16 g/mol
Exact Mass160.08
IUPAC Namediaminomethylidene-[1-(methylamino)-2-nitroethenyl]azanium
SMILESCNC(=C[N+](=O)[O-])[NH+]=C(N)N
InChIInChI=1S/C4H9N5O2/c1-7-3(2-9(10)11)8-4(5)6/h2,7H,1H3,(H4,5,6,8)/p+1
InChIKeyLOSSUBRUNJRFOX-UHFFFAOYSA-O
XLogP-3.36
TPSA121.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 5-3.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(Methylamino)-2-nitroethenyl]guanidine
CID 5154825
N'-[(Z)-1-(ethylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide
CID 19754520
N,N-dimethyl-N'-[(Z)-1-(methylamino)-2-nitroethenyl]methanimidamide
CID 19754522
N,N-dimethyl-N'-[1-(methylamino)-2-nitroethenyl]methanimidamide
CID 85669034
N'-[1-(ethylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide
CID 85669038
1-cyano-2-methylguanidine;(E)-1-N'-methyl-2-nitroethene-1,1-diamine
CID 158580991
N'-[(E)-1-(ethylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide
CID 173360254
N,N-dimethyl-N'-[(E)-1-(methylamino)-2-nitroethenyl]methanimidamide
CID 173360319
N-[1-(methylamino)-2-nitrovinyl]guanidine
CID 6286004

Frequently Asked Questions

What is the IUPAC name of diaminomethylidene-[1-(methylamino)-2-nitroethenyl]azanium?
The IUPAC name of diaminomethylidene-[1-(methylamino)-2-nitroethenyl]azanium (CID 7096896) is diaminomethylidene-[1-(methylamino)-2-nitroethenyl]azanium.
What is the SMILES notation for diaminomethylidene-[1-(methylamino)-2-nitroethenyl]azanium?
The canonical SMILES for diaminomethylidene-[1-(methylamino)-2-nitroethenyl]azanium is CNC(=C[N+](=O)[O-])[NH+]=C(N)N.
What is the InChIKey of diaminomethylidene-[1-(methylamino)-2-nitroethenyl]azanium?
The InChIKey is LOSSUBRUNJRFOX-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9N5O2/c1-7-3(2-9(10)11)8-4(5)6/h2,7H,1H3,(H4,5,6,8)/p+1.
What are the key properties of diaminomethylidene-[1-(methylamino)-2-nitroethenyl]azanium?
diaminomethylidene-[1-(methylamino)-2-nitroethenyl]azanium has a molecular weight of 160.16 g/mol, XLogP of -3.36, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene-[1-(methylamino)-2-nitroethenyl]azanium is sourced from PubChem (CID 7096896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).