1-(2-hydrazinylphenyl)-4-(methylamino)butane-1,2-diol

C11H19N3O2 — CID 171889879

IUPAC1-(2-hydrazinylphenyl)-4-(methylamino)butane-1,2-diol
SMILESCNCCC(O)C(O)c1ccccc1NN
InChIInChI=1S/C11H19N3O2/c1-13-7-6-10(15)11(16)8-4-2-3-5-9(8)14-12/h2-5,10-11,13-16H,6-7,12H2,1H3
InChIKeySZVPGGDCBZQNCU-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.02
Rot. Bonds6

About 1-(2-hydrazinylphenyl)-4-(methylamino)butane-1,2-diol

1-(2-hydrazinylphenyl)-4-(methylamino)butane-1,2-diol (PubChem CID 171889879) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(2-hydrazinylphenyl)-4-(methylamino)butane-1,2-diol.

Molecular Properties

Compound Name1-(2-hydrazinylphenyl)-4-(methylamino)butane-1,2-diol
PubChem CID171889879
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-(2-hydrazinylphenyl)-4-(methylamino)butane-1,2-diol
SMILESCNCCC(O)C(O)c1ccccc1NN
InChIInChI=1S/C11H19N3O2/c1-13-7-6-10(15)11(16)8-4-2-3-5-9(8)14-12/h2-5,10-11,13-16H,6-7,12H2,1H3
InChIKeySZVPGGDCBZQNCU-UHFFFAOYSA-N
XLogP-0.02
TPSA90.54 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.02
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'}

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Related Compounds

N-[2-[1,2-dihydroxy-4-(methylamino)butyl]phenyl]acetamide
CID 171890704
4-(methylamino)-1-[2-(methylaminomethyl)phenyl]butane-1,2-diol
CID 171890262
4-(methylamino)-1-(2-methylsulfanylphenyl)butane-1,2-diol
CID 171889747
1-(2-ethenylphenyl)-4-(methylamino)butane-1,2-diol
CID 171889770
1-(2-ethoxyphenyl)-4-(methylamino)butane-1,2-diol
CID 171890149
1-(2-amino-3-pyridinyl)-4-(methylamino)butane-1,2-diol
CID 171889665
4-(methylamino)-1-phenanthren-9-ylbutane-1,2-diol
CID 171891241
1-[2-fluoro-3-(hydroxymethyl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171890130
1-(4-amino-2,3-difluorophenyl)-4-(methylamino)butane-1,2-diol
CID 171890299
1-[3-[1,2-dihydroxy-4-(methylamino)butyl]-2-fluorophenyl]ethanone
CID 171890543
4-[1,2-dihydroxy-4-(methylamino)butyl]-2-benzofuran-1,3-dione
CID 171890965
1-(2,6-dimethylphenyl)-4-(methylamino)butane-1,2-diol
CID 171889774

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydrazinylphenyl)-4-(methylamino)butane-1,2-diol?
The IUPAC name of 1-(2-hydrazinylphenyl)-4-(methylamino)butane-1,2-diol (CID 171889879) is 1-(2-hydrazinylphenyl)-4-(methylamino)butane-1,2-diol.
What is the SMILES notation for 1-(2-hydrazinylphenyl)-4-(methylamino)butane-1,2-diol?
The canonical SMILES for 1-(2-hydrazinylphenyl)-4-(methylamino)butane-1,2-diol is CNCCC(O)C(O)c1ccccc1NN.
What is the InChIKey of 1-(2-hydrazinylphenyl)-4-(methylamino)butane-1,2-diol?
The InChIKey is SZVPGGDCBZQNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-13-7-6-10(15)11(16)8-4-2-3-5-9(8)14-12/h2-5,10-11,13-16H,6-7,12H2,1H3.
What are the key properties of 1-(2-hydrazinylphenyl)-4-(methylamino)butane-1,2-diol?
1-(2-hydrazinylphenyl)-4-(methylamino)butane-1,2-diol has a molecular weight of 225.29 g/mol, XLogP of -0.02, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydrazinylphenyl)-4-(methylamino)butane-1,2-diol is sourced from PubChem (CID 171889879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).