2-[[2-amino-2-(diaminomethylideneamino)acetyl]amino]ethylazanide;2,2,2-trifluoroacetate

C7H13F3N6O3-2 — CID 158737545

IUPAC2-[[2-amino-2-(diaminomethylideneamino)acetyl]amino]ethylazanide;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH-]CCNC(=O)C(N)N=C(N)N
InChIInChI=1S/C5H13N6O.C2HF3O2/c6-1-2-10-4(12)3(7)11-5(8)9;3-2(4,5)1(6)7/h3,6H,1-2,7H2,(H,10,12)(H4,8,9,11);(H,6,7)/q-1;/p-1
InChIKeyILWFZVAWJPVPQU-UHFFFAOYSA-M
MW286.21 g/mol
LogP-2.99
Rot. Bonds4

About 2-[[2-amino-2-(diaminomethylideneamino)acetyl]amino]ethylazanide;2,2,2-trifluoroacetate

2-[[2-amino-2-(diaminomethylideneamino)acetyl]amino]ethylazanide;2,2,2-trifluoroacetate (PubChem CID 158737545) has the molecular formula C7H13F3N6O3-2 and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-[[2-amino-2-(diaminomethylideneamino)acetyl]amino]ethylazanide;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-[[2-amino-2-(diaminomethylideneamino)acetyl]amino]ethylazanide;2,2,2-trifluoroacetate
PubChem CID158737545
Molecular FormulaC7H13F3N6O3-2
Molecular Weight286.21 g/mol
Exact Mass286.10
IUPAC Name2-[[2-amino-2-(diaminomethylideneamino)acetyl]amino]ethylazanide;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH-]CCNC(=O)C(N)N=C(N)N
InChIInChI=1S/C5H13N6O.C2HF3O2/c6-1-2-10-4(12)3(7)11-5(8)9;3-2(4,5)1(6)7/h3,6H,1-2,7H2,(H,10,12)(H4,8,9,11);(H,6,7)/q-1;/p-1
InChIKeyILWFZVAWJPVPQU-UHFFFAOYSA-M
XLogP-2.99
TPSA183.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 5-2.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2,2,2-trifluoroethyl)acetamide trifluoroacetate
CID 131730267
2-amino-N-(2-aminoethyl)-2-(diaminomethylideneamino)acetamide;2,2,2-trifluoroacetic acid
CID 171931704
2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide
CID 131206782
2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide;hydroiodide
CID 131206781

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-2-(diaminomethylideneamino)acetyl]amino]ethylazanide;2,2,2-trifluoroacetate?
The IUPAC name of 2-[[2-amino-2-(diaminomethylideneamino)acetyl]amino]ethylazanide;2,2,2-trifluoroacetate (CID 158737545) is 2-[[2-amino-2-(diaminomethylideneamino)acetyl]amino]ethylazanide;2,2,2-trifluoroacetate.
What is the SMILES notation for 2-[[2-amino-2-(diaminomethylideneamino)acetyl]amino]ethylazanide;2,2,2-trifluoroacetate?
The canonical SMILES for 2-[[2-amino-2-(diaminomethylideneamino)acetyl]amino]ethylazanide;2,2,2-trifluoroacetate is O=C([O-])C(F)(F)F.[NH-]CCNC(=O)C(N)N=C(N)N.
What is the InChIKey of 2-[[2-amino-2-(diaminomethylideneamino)acetyl]amino]ethylazanide;2,2,2-trifluoroacetate?
The InChIKey is ILWFZVAWJPVPQU-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13N6O.C2HF3O2/c6-1-2-10-4(12)3(7)11-5(8)9;3-2(4,5)1(6)7/h3,6H,1-2,7H2,(H,10,12)(H4,8,9,11);(H,6,7)/q-1;/p-1.
What are the key properties of 2-[[2-amino-2-(diaminomethylideneamino)acetyl]amino]ethylazanide;2,2,2-trifluoroacetate?
2-[[2-amino-2-(diaminomethylideneamino)acetyl]amino]ethylazanide;2,2,2-trifluoroacetate has a molecular weight of 286.21 g/mol, XLogP of -2.99, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-2-(diaminomethylideneamino)acetyl]amino]ethylazanide;2,2,2-trifluoroacetate is sourced from PubChem (CID 158737545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).