1-N',4-N'-dihydroxybutanediimidamide

C4H10N4O2 — CID 5351655

IUPAC1-N',4-N'-dihydroxybutanediimidamide
SMILESN/C(CC/C(N)=N/O)=N\O
InChIInChI=1S/C4H10N4O2/c5-3(7-9)1-2-4(6)8-10/h9-10H,1-2H2,(H2,5,7)(H2,6,8)
InChIKeyLHYIWYMOHCIQRH-UHFFFAOYSA-N
MW146.15 g/mol
LogP-0.74
Rot. Bonds3

About 1-N',4-N'-dihydroxybutanediimidamide

1-N',4-N'-dihydroxybutanediimidamide (PubChem CID 5351655) has the molecular formula C4H10N4O2 and a molecular weight of 146.15 g/mol. Its IUPAC name is 1-N',4-N'-dihydroxybutanediimidamide.

Molecular Properties

Compound Name1-N',4-N'-dihydroxybutanediimidamide
PubChem CID5351655
Molecular FormulaC4H10N4O2
Molecular Weight146.15 g/mol
Exact Mass146.08
IUPAC Name1-N',4-N'-dihydroxybutanediimidamide
SMILESN/C(CC/C(N)=N/O)=N\O
InChIInChI=1S/C4H10N4O2/c5-3(7-9)1-2-4(6)8-10/h9-10H,1-2H2,(H2,5,7)(H2,6,8)
InChIKeyLHYIWYMOHCIQRH-UHFFFAOYSA-N
XLogP-0.74
TPSA117.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.74
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_1', '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 1-N',4-N'-dihydroxybutanediimidamide?
The IUPAC name of 1-N',4-N'-dihydroxybutanediimidamide (CID 5351655) is 1-N',4-N'-dihydroxybutanediimidamide.
What is the SMILES notation for 1-N',4-N'-dihydroxybutanediimidamide?
The canonical SMILES for 1-N',4-N'-dihydroxybutanediimidamide is N/C(CC/C(N)=N/O)=N\O.
What is the InChIKey of 1-N',4-N'-dihydroxybutanediimidamide?
The InChIKey is LHYIWYMOHCIQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O2/c5-3(7-9)1-2-4(6)8-10/h9-10H,1-2H2,(H2,5,7)(H2,6,8).
What are the key properties of 1-N',4-N'-dihydroxybutanediimidamide?
1-N',4-N'-dihydroxybutanediimidamide has a molecular weight of 146.15 g/mol, XLogP of -0.74, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',4-N'-dihydroxybutanediimidamide is sourced from PubChem (CID 5351655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).