4-hydrazinylbutane-1,2,3-triol

C4H12N2O3 — CID 23364390

IUPAC4-hydrazinylbutane-1,2,3-triol
SMILESNNCC(O)C(O)CO
InChIInChI=1S/C4H12N2O3/c5-6-1-3(8)4(9)2-7/h3-4,6-9H,1-2,5H2
InChIKeyXBCFWRNFHWPYNC-UHFFFAOYSA-N
MW136.15 g/mol
LogP-2.84
Rot. Bonds4

About 4-hydrazinylbutane-1,2,3-triol

4-hydrazinylbutane-1,2,3-triol (PubChem CID 23364390) has the molecular formula C4H12N2O3 and a molecular weight of 136.15 g/mol. Its IUPAC name is 4-hydrazinylbutane-1,2,3-triol.

Molecular Properties

Compound Name4-hydrazinylbutane-1,2,3-triol
PubChem CID23364390
Molecular FormulaC4H12N2O3
Molecular Weight136.15 g/mol
Exact Mass136.08
IUPAC Name4-hydrazinylbutane-1,2,3-triol
SMILESNNCC(O)C(O)CO
InChIInChI=1S/C4H12N2O3/c5-6-1-3(8)4(9)2-7/h3-4,6-9H,1-2,5H2
InChIKeyXBCFWRNFHWPYNC-UHFFFAOYSA-N
XLogP-2.84
TPSA98.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-2.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-hydrazinylbutane-1,2,3-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinylbutane-1,2,3-triol?
The IUPAC name of 4-hydrazinylbutane-1,2,3-triol (CID 23364390) is 4-hydrazinylbutane-1,2,3-triol.
What is the SMILES notation for 4-hydrazinylbutane-1,2,3-triol?
The canonical SMILES for 4-hydrazinylbutane-1,2,3-triol is NNCC(O)C(O)CO.
What is the InChIKey of 4-hydrazinylbutane-1,2,3-triol?
The InChIKey is XBCFWRNFHWPYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O3/c5-6-1-3(8)4(9)2-7/h3-4,6-9H,1-2,5H2.
What are the key properties of 4-hydrazinylbutane-1,2,3-triol?
4-hydrazinylbutane-1,2,3-triol has a molecular weight of 136.15 g/mol, XLogP of -2.84, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinylbutane-1,2,3-triol is sourced from PubChem (CID 23364390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).