(diaminomethylideneamino) 2-(diaminomethylideneamino)acetate

C4H10N6O2 — CID 18473214

IUPAC(diaminomethylideneamino) 2-(diaminomethylideneamino)acetate
SMILESNC(N)=NCC(=O)ON=C(N)N
InChIInChI=1S/C4H10N6O2/c5-3(6)9-1-2(11)12-10-4(7)8/h1H2,(H4,5,6,9)(H4,7,8,10)
InChIKeyQULQHRJCSGHNIC-UHFFFAOYSA-N
MW174.16 g/mol
LogP-3.01
Rot. Bonds3

About (diaminomethylideneamino) 2-(diaminomethylideneamino)acetate

(diaminomethylideneamino) 2-(diaminomethylideneamino)acetate (PubChem CID 18473214) has the molecular formula C4H10N6O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is (diaminomethylideneamino) 2-(diaminomethylideneamino)acetate.

Molecular Properties

Compound Name(diaminomethylideneamino) 2-(diaminomethylideneamino)acetate
PubChem CID18473214
Molecular FormulaC4H10N6O2
Molecular Weight174.16 g/mol
Exact Mass174.09
IUPAC Name(diaminomethylideneamino) 2-(diaminomethylideneamino)acetate
SMILESNC(N)=NCC(=O)ON=C(N)N
InChIInChI=1S/C4H10N6O2/c5-3(6)9-1-2(11)12-10-4(7)8/h1H2,(H4,5,6,9)(H4,7,8,10)
InChIKeyQULQHRJCSGHNIC-UHFFFAOYSA-N
XLogP-3.01
TPSA155.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-3.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (diaminomethylideneamino) 2-(diaminomethylideneamino)acetate?
The IUPAC name of (diaminomethylideneamino) 2-(diaminomethylideneamino)acetate (CID 18473214) is (diaminomethylideneamino) 2-(diaminomethylideneamino)acetate.
What is the SMILES notation for (diaminomethylideneamino) 2-(diaminomethylideneamino)acetate?
The canonical SMILES for (diaminomethylideneamino) 2-(diaminomethylideneamino)acetate is NC(N)=NCC(=O)ON=C(N)N.
What is the InChIKey of (diaminomethylideneamino) 2-(diaminomethylideneamino)acetate?
The InChIKey is QULQHRJCSGHNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N6O2/c5-3(6)9-1-2(11)12-10-4(7)8/h1H2,(H4,5,6,9)(H4,7,8,10).
What are the key properties of (diaminomethylideneamino) 2-(diaminomethylideneamino)acetate?
(diaminomethylideneamino) 2-(diaminomethylideneamino)acetate has a molecular weight of 174.16 g/mol, XLogP of -3.01, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (diaminomethylideneamino) 2-(diaminomethylideneamino)acetate is sourced from PubChem (CID 18473214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).