[[amino-(2,2-dihydroxyhydrazinyl)methylidene]amino]urea

C2H8N6O3 — CID 4264598

IUPAC[[amino-(2,2-dihydroxyhydrazinyl)methylidene]amino]urea
SMILESNC(=O)NN=C(N)NN(O)O
InChIInChI=1S/C2H8N6O3/c3-1(7-8(10)11)5-6-2(4)9/h10-11H,(H3,3,5,7)(H3,4,6,9)
InChIKeySGXJOFUYOWTRAY-UHFFFAOYSA-N
MW164.12 g/mol
LogP-2.53
Rot. Bonds2

About [[amino-(2,2-dihydroxyhydrazinyl)methylidene]amino]urea

[[amino-(2,2-dihydroxyhydrazinyl)methylidene]amino]urea (PubChem CID 4264598) has the molecular formula C2H8N6O3 and a molecular weight of 164.12 g/mol. Its IUPAC name is [[amino-(2,2-dihydroxyhydrazinyl)methylidene]amino]urea.

Molecular Properties

Compound Name[[amino-(2,2-dihydroxyhydrazinyl)methylidene]amino]urea
PubChem CID4264598
Molecular FormulaC2H8N6O3
Molecular Weight164.12 g/mol
Exact Mass164.07
IUPAC Name[[amino-(2,2-dihydroxyhydrazinyl)methylidene]amino]urea
SMILESNC(=O)NN=C(N)NN(O)O
InChIInChI=1S/C2H8N6O3/c3-1(7-8(10)11)5-6-2(4)9/h10-11H,(H3,3,5,7)(H3,4,6,9)
InChIKeySGXJOFUYOWTRAY-UHFFFAOYSA-N
XLogP-2.53
TPSA149.23 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500164.12
LogP ≤ 5-2.53
H-Bond Donors ≤ 56
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[amino-(2,2-dihydroxyhydrazinyl)methylidene]amino]urea?
The IUPAC name of [[amino-(2,2-dihydroxyhydrazinyl)methylidene]amino]urea (CID 4264598) is [[amino-(2,2-dihydroxyhydrazinyl)methylidene]amino]urea.
What is the SMILES notation for [[amino-(2,2-dihydroxyhydrazinyl)methylidene]amino]urea?
The canonical SMILES for [[amino-(2,2-dihydroxyhydrazinyl)methylidene]amino]urea is NC(=O)NN=C(N)NN(O)O.
What is the InChIKey of [[amino-(2,2-dihydroxyhydrazinyl)methylidene]amino]urea?
The InChIKey is SGXJOFUYOWTRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N6O3/c3-1(7-8(10)11)5-6-2(4)9/h10-11H,(H3,3,5,7)(H3,4,6,9).
What are the key properties of [[amino-(2,2-dihydroxyhydrazinyl)methylidene]amino]urea?
[[amino-(2,2-dihydroxyhydrazinyl)methylidene]amino]urea has a molecular weight of 164.12 g/mol, XLogP of -2.53, 2 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino-(2,2-dihydroxyhydrazinyl)methylidene]amino]urea is sourced from PubChem (CID 4264598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).