hydrazine;3-[4-(2-hydroxyethyl)-2-nitrophenyl]propane-1,2-diol

C11H19N3O5 — CID 19851147

IUPAChydrazine;3-[4-(2-hydroxyethyl)-2-nitrophenyl]propane-1,2-diol
SMILESNN.O=[N+]([O-])c1cc(CCO)ccc1CC(O)CO
InChIInChI=1S/C11H15NO5.H4N2/c13-4-3-8-1-2-9(6-10(15)7-14)11(5-8)12(16)17;1-2/h1-2,5,10,13-15H,3-4,6-7H2;1-2H2
InChIKeyPJAMGDOMZLAGRJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP-1.16
Rot. Bonds6

About hydrazine;3-[4-(2-hydroxyethyl)-2-nitrophenyl]propane-1,2-diol

hydrazine;3-[4-(2-hydroxyethyl)-2-nitrophenyl]propane-1,2-diol (PubChem CID 19851147) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is hydrazine;3-[4-(2-hydroxyethyl)-2-nitrophenyl]propane-1,2-diol.

Molecular Properties

Compound Namehydrazine;3-[4-(2-hydroxyethyl)-2-nitrophenyl]propane-1,2-diol
PubChem CID19851147
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Namehydrazine;3-[4-(2-hydroxyethyl)-2-nitrophenyl]propane-1,2-diol
SMILESNN.O=[N+]([O-])c1cc(CCO)ccc1CC(O)CO
InChIInChI=1S/C11H15NO5.H4N2/c13-4-3-8-1-2-9(6-10(15)7-14)11(5-8)12(16)17;1-2/h1-2,5,10,13-15H,3-4,6-7H2;1-2H2
InChIKeyPJAMGDOMZLAGRJ-UHFFFAOYSA-N
XLogP-1.16
TPSA155.87 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze hydrazine;3-[4-(2-hydroxyethyl)-2-nitrophenyl]propane-1,2-diol with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(2-hydroxyethyl)-3-nitrophenyl]ethanol;methane
CID 146240647
2-(4-fluoro-3-nitrophenyl)ethanol
CID 11252405
3-(3-amino-4-nitrophenyl)propane-1,2-diol
CID 54221190
2-[4-(bromomethyl)-2-nitrophenyl]ethanol
CID 68828100
[4-(bromomethyl)-3-nitrophenyl]methanol
CID 139934895
tert-butyl N-[4-(2-hydroxyethyl)-2-nitrophenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 118034251
4-[4-(3-methylbutyl)-2-nitrophenyl]butan-1-amine
CID 158931169
2-nitro-1,4-bis(nitromethyl)benzene
CID 20531411
2-bromo-3-(4-fluoro-2-nitrophenyl)propanamide
CID 104513119
2-(4-fluoro-3-nitrophenyl)ethanamine;hydrochloride
CID 178200982
4-ethyl-N-[4-(2-hydroxyethyl)phenyl]-3-nitrobenzamide
CID 111612092
3-(5-nitroisoquinolin-4-yl)propane-1,2-diol
CID 58780824

Frequently Asked Questions

What is the IUPAC name of hydrazine;3-[4-(2-hydroxyethyl)-2-nitrophenyl]propane-1,2-diol?
The IUPAC name of hydrazine;3-[4-(2-hydroxyethyl)-2-nitrophenyl]propane-1,2-diol (CID 19851147) is hydrazine;3-[4-(2-hydroxyethyl)-2-nitrophenyl]propane-1,2-diol.
What is the SMILES notation for hydrazine;3-[4-(2-hydroxyethyl)-2-nitrophenyl]propane-1,2-diol?
The canonical SMILES for hydrazine;3-[4-(2-hydroxyethyl)-2-nitrophenyl]propane-1,2-diol is NN.O=[N+]([O-])c1cc(CCO)ccc1CC(O)CO.
What is the InChIKey of hydrazine;3-[4-(2-hydroxyethyl)-2-nitrophenyl]propane-1,2-diol?
The InChIKey is PJAMGDOMZLAGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5.H4N2/c13-4-3-8-1-2-9(6-10(15)7-14)11(5-8)12(16)17;1-2/h1-2,5,10,13-15H,3-4,6-7H2;1-2H2.
What are the key properties of hydrazine;3-[4-(2-hydroxyethyl)-2-nitrophenyl]propane-1,2-diol?
hydrazine;3-[4-(2-hydroxyethyl)-2-nitrophenyl]propane-1,2-diol has a molecular weight of 273.29 g/mol, XLogP of -1.16, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;3-[4-(2-hydroxyethyl)-2-nitrophenyl]propane-1,2-diol is sourced from PubChem (CID 19851147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).