4-amino-1-(6-hydrazinyl-3-pyridinyl)butane-1,2-diol

C9H16N4O2 — CID 171881066

IUPAC4-amino-1-(6-hydrazinyl-3-pyridinyl)butane-1,2-diol
SMILESNCCC(O)C(O)c1ccc(NN)nc1
InChIInChI=1S/C9H16N4O2/c10-4-3-7(14)9(15)6-1-2-8(13-11)12-5-6/h1-2,5,7,9,14-15H,3-4,10-11H2,(H,12,13)
InChIKeyINEIMPNLJHCNHK-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.89
Rot. Bonds5

About 4-amino-1-(6-hydrazinyl-3-pyridinyl)butane-1,2-diol

4-amino-1-(6-hydrazinyl-3-pyridinyl)butane-1,2-diol (PubChem CID 171881066) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-amino-1-(6-hydrazinyl-3-pyridinyl)butane-1,2-diol.

Molecular Properties

Compound Name4-amino-1-(6-hydrazinyl-3-pyridinyl)butane-1,2-diol
PubChem CID171881066
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name4-amino-1-(6-hydrazinyl-3-pyridinyl)butane-1,2-diol
SMILESNCCC(O)C(O)c1ccc(NN)nc1
InChIInChI=1S/C9H16N4O2/c10-4-3-7(14)9(15)6-1-2-8(13-11)12-5-6/h1-2,5,7,9,14-15H,3-4,10-11H2,(H,12,13)
InChIKeyINEIMPNLJHCNHK-UHFFFAOYSA-N
XLogP-0.89
TPSA117.42 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-1-(6-hydrazinyl-3-pyridinyl)butane-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

4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol
CID 171880722
methyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171895400
ethyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897191
4-amino-1-(6-nitro-3-pyridinyl)butane-1,2-diol
CID 171881245
benzyl N-[3-(6-hydrazinyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855731
4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol
CID 171881415
4-amino-1-(4-bromophenyl)butane-1,2-diol
CID 171882308
4-amino-1-(1,3-benzoxazol-5-yl)butane-1,2-diol
CID 171881431
4-amino-1-(5-amino-6-methyl-3-pyridinyl)butane-1,2-diol
CID 171880918
5-(4-amino-1,2-dihydroxybutyl)-2-chloropyridine-3-carboxylic acid
CID 171881681
3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol
CID 170827531
4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol
CID 171880956

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(6-hydrazinyl-3-pyridinyl)butane-1,2-diol?
The IUPAC name of 4-amino-1-(6-hydrazinyl-3-pyridinyl)butane-1,2-diol (CID 171881066) is 4-amino-1-(6-hydrazinyl-3-pyridinyl)butane-1,2-diol.
What is the SMILES notation for 4-amino-1-(6-hydrazinyl-3-pyridinyl)butane-1,2-diol?
The canonical SMILES for 4-amino-1-(6-hydrazinyl-3-pyridinyl)butane-1,2-diol is NCCC(O)C(O)c1ccc(NN)nc1.
What is the InChIKey of 4-amino-1-(6-hydrazinyl-3-pyridinyl)butane-1,2-diol?
The InChIKey is INEIMPNLJHCNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c10-4-3-7(14)9(15)6-1-2-8(13-11)12-5-6/h1-2,5,7,9,14-15H,3-4,10-11H2,(H,12,13).
What are the key properties of 4-amino-1-(6-hydrazinyl-3-pyridinyl)butane-1,2-diol?
4-amino-1-(6-hydrazinyl-3-pyridinyl)butane-1,2-diol has a molecular weight of 212.25 g/mol, XLogP of -0.89, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(6-hydrazinyl-3-pyridinyl)butane-1,2-diol is sourced from PubChem (CID 171881066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).