3-(4-hydrazinylphenyl)-2,3-dihydroxypropanenitrile

C9H11N3O2 — CID 171869910

IUPAC3-(4-hydrazinylphenyl)-2,3-dihydroxypropanenitrile
SMILESN#CC(O)C(O)c1ccc(NN)cc1
InChIInChI=1S/C9H11N3O2/c10-5-8(13)9(14)6-1-3-7(12-11)4-2-6/h1-4,8-9,12-14H,11H2
InChIKeyBTNBHHSAYNDDTK-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.11
Rot. Bonds3

About 3-(4-hydrazinylphenyl)-2,3-dihydroxypropanenitrile

3-(4-hydrazinylphenyl)-2,3-dihydroxypropanenitrile (PubChem CID 171869910) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-(4-hydrazinylphenyl)-2,3-dihydroxypropanenitrile.

Molecular Properties

Compound Name3-(4-hydrazinylphenyl)-2,3-dihydroxypropanenitrile
PubChem CID171869910
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name3-(4-hydrazinylphenyl)-2,3-dihydroxypropanenitrile
SMILESN#CC(O)C(O)c1ccc(NN)cc1
InChIInChI=1S/C9H11N3O2/c10-5-8(13)9(14)6-1-3-7(12-11)4-2-6/h1-4,8-9,12-14H,11H2
InChIKeyBTNBHHSAYNDDTK-UHFFFAOYSA-N
XLogP-0.11
TPSA102.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4-hydrazinylphenyl)-2,3-dihydroxypropanenitrile 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

2,3-dihydroxy-3-(4-methylphenyl)propanenitrile
CID 171869656
4-(2-cyano-1,2-dihydroxyethyl)benzenecarbothioamide
CID 171870245
3-[4-(2-aminoethyl)phenyl]-2,3-dihydroxypropanenitrile
CID 171870282
2,3-dihydroxy-3-(4-pyrrolidin-1-ylphenyl)propanenitrile
CID 171871500
3-[4-(2-aminoacetyl)phenyl]-2,3-dihydroxypropanenitrile
CID 171870719
2,3-dihydroxy-3-(4-piperidin-1-ylphenyl)propanenitrile
CID 171871508
2,3-dihydroxy-3-(4-prop-1-en-2-ylphenyl)propanenitrile
CID 171870065
2,3-dihydroxy-3-(4-phenoxyphenyl)propanenitrile
CID 171871202
2,3-dihydroxy-3-[4-(methoxymethyl)phenyl]propanenitrile
CID 171870155
2,3-dihydroxy-3-(3-hydroxyphenyl)propanenitrile
CID 171869668
(4-propan-2-ylphenyl)hydrazine;hydrate;hydrochloride
CID 18702305
2,3-dihydroxy-3-naphthalen-2-ylpropanenitrile
CID 171870416

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydrazinylphenyl)-2,3-dihydroxypropanenitrile?
The IUPAC name of 3-(4-hydrazinylphenyl)-2,3-dihydroxypropanenitrile (CID 171869910) is 3-(4-hydrazinylphenyl)-2,3-dihydroxypropanenitrile.
What is the SMILES notation for 3-(4-hydrazinylphenyl)-2,3-dihydroxypropanenitrile?
The canonical SMILES for 3-(4-hydrazinylphenyl)-2,3-dihydroxypropanenitrile is N#CC(O)C(O)c1ccc(NN)cc1.
What is the InChIKey of 3-(4-hydrazinylphenyl)-2,3-dihydroxypropanenitrile?
The InChIKey is BTNBHHSAYNDDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-5-8(13)9(14)6-1-3-7(12-11)4-2-6/h1-4,8-9,12-14H,11H2.
What are the key properties of 3-(4-hydrazinylphenyl)-2,3-dihydroxypropanenitrile?
3-(4-hydrazinylphenyl)-2,3-dihydroxypropanenitrile has a molecular weight of 193.21 g/mol, XLogP of -0.11, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydrazinylphenyl)-2,3-dihydroxypropanenitrile is sourced from PubChem (CID 171869910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).