amino(diaminomethylidene)azanium acetate

C3H10N4O2 — CID 23463354

IUPACamino(diaminomethylidene)azanium acetate
SMILESCC(=O)[O-].N[NH+]=C(N)N
InChIInChI=1S/C2H4O2.CH6N4/c1-2(3)4;2-1(3)5-4/h1H3,(H,3,4);4H2,(H4,2,3,5)
InChIKeyCABZWVUOHXCMNP-UHFFFAOYSA-N
MW134.14 g/mol
LogP-5.03
Rot. Bonds

About amino(diaminomethylidene)azanium acetate

amino(diaminomethylidene)azanium acetate (PubChem CID 23463354) has the molecular formula C3H10N4O2 and a molecular weight of 134.14 g/mol. Its IUPAC name is amino(diaminomethylidene)azanium acetate.

Molecular Properties

Compound Nameamino(diaminomethylidene)azanium acetate
PubChem CID23463354
Molecular FormulaC3H10N4O2
Molecular Weight134.14 g/mol
Exact Mass134.08
IUPAC Nameamino(diaminomethylidene)azanium acetate
SMILESCC(=O)[O-].N[NH+]=C(N)N
InChIInChI=1S/C2H4O2.CH6N4/c1-2(3)4;2-1(3)5-4/h1H3,(H,3,4);4H2,(H4,2,3,5)
InChIKeyCABZWVUOHXCMNP-UHFFFAOYSA-N
XLogP-5.03
TPSA132.16 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 5-5.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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'}

Analyze amino(diaminomethylidene)azanium acetate 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

bis(amino(diaminomethylidene)azanium);butanedioate
CID 166542017
azanium;urea;acetate
CID 87930546
amino(diaminomethylidene)azanium sulfate
CID 162367805
cadmium(2+);ethanethioamide;diacetate
CID 174647829
disodium;guanidine;diacetate
CID 172858856
azanium;prop-2-enamide;acetate
CID 172806462
sodium;prop-2-enamide;acetate
CID 87656488
germanium(4+) tetraacetate
CID 158263361
dicopper diacetate
CID 158276690
(indium(3+)) diacetate
CID 173450278
terbium(3+) acetate
CID 22482914
manganese(3+) diacetate
CID 159209977

Frequently Asked Questions

What is the IUPAC name of amino(diaminomethylidene)azanium acetate?
The IUPAC name of amino(diaminomethylidene)azanium acetate (CID 23463354) is amino(diaminomethylidene)azanium acetate.
What is the SMILES notation for amino(diaminomethylidene)azanium acetate?
The canonical SMILES for amino(diaminomethylidene)azanium acetate is CC(=O)[O-].N[NH+]=C(N)N.
What is the InChIKey of amino(diaminomethylidene)azanium acetate?
The InChIKey is CABZWVUOHXCMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.CH6N4/c1-2(3)4;2-1(3)5-4/h1H3,(H,3,4);4H2,(H4,2,3,5).
What are the key properties of amino(diaminomethylidene)azanium acetate?
amino(diaminomethylidene)azanium acetate has a molecular weight of 134.14 g/mol, XLogP of -5.03, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino(diaminomethylidene)azanium acetate is sourced from PubChem (CID 23463354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).