2-[(2-amino-6-hydrazinylpurin-9-yl)methyl]propane-1,3-diol

C9H15N7O2 — CID 15516210

IUPAC2-[(2-amino-6-hydrazinylpurin-9-yl)methyl]propane-1,3-diol
SMILESNNc1nc(N)nc2c1ncn2CC(CO)CO
InChIInChI=1S/C9H15N7O2/c10-9-13-7(15-11)6-8(14-9)16(4-12-6)1-5(2-17)3-18/h4-5,17-18H,1-3,11H2,(H3,10,13,14,15)
InChIKeyQHDVWXDDTREGNN-UHFFFAOYSA-N
MW253.27 g/mol
LogP-1.71
Rot. Bonds5

About 2-[(2-amino-6-hydrazinylpurin-9-yl)methyl]propane-1,3-diol

2-[(2-amino-6-hydrazinylpurin-9-yl)methyl]propane-1,3-diol (PubChem CID 15516210) has the molecular formula C9H15N7O2 and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-[(2-amino-6-hydrazinylpurin-9-yl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[(2-amino-6-hydrazinylpurin-9-yl)methyl]propane-1,3-diol
PubChem CID15516210
Molecular FormulaC9H15N7O2
Molecular Weight253.27 g/mol
Exact Mass253.13
IUPAC Name2-[(2-amino-6-hydrazinylpurin-9-yl)methyl]propane-1,3-diol
SMILESNNc1nc(N)nc2c1ncn2CC(CO)CO
InChIInChI=1S/C9H15N7O2/c10-9-13-7(15-11)6-8(14-9)16(4-12-6)1-5(2-17)3-18/h4-5,17-18H,1-3,11H2,(H3,10,13,14,15)
InChIKeyQHDVWXDDTREGNN-UHFFFAOYSA-N
XLogP-1.71
TPSA148.13 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 5-1.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[(2-amino-6-hydrazinylpurin-9-yl)methyl]propane-1,3-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-[(2,6-diaminopurin-9-yl)methyl]propane-1,3-diol
CID 15516211
2-[(2-amino-6-hydrazinylpurin-9-yl)methoxy]ethanol
CID 67801467
(2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol
CID 70039769
(2R,3R,4S,5R)-2-(2-amino-6-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 24763775
[(2R)-1-[2-amino-6-(2-methylpropylamino)purin-9-yl]propan-2-yl]oxymethylphosphonic acid
CID 10948316
(2S)-2-[(2,6-diaminopurin-9-yl)methoxy]-2-methoxyethanol
CID 143717485
(2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-ol
CID 67450867
9-[(2S)-3-methoxy-2-methylpropyl]purine-2,6-diamine
CID 163571544
(2R)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methoxy]pentane-1,3,4-triol
CID 71004119
[3-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-4-hydroxybutyl]phosphonic acid
CID 135795210
9-[3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine
CID 67642946
[(1S,2R)-2-[(2,6-diaminopurin-9-yl)methyl]cyclopentyl]methanol
CID 102426371

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-hydrazinylpurin-9-yl)methyl]propane-1,3-diol?
The IUPAC name of 2-[(2-amino-6-hydrazinylpurin-9-yl)methyl]propane-1,3-diol (CID 15516210) is 2-[(2-amino-6-hydrazinylpurin-9-yl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-[(2-amino-6-hydrazinylpurin-9-yl)methyl]propane-1,3-diol?
The canonical SMILES for 2-[(2-amino-6-hydrazinylpurin-9-yl)methyl]propane-1,3-diol is NNc1nc(N)nc2c1ncn2CC(CO)CO.
What is the InChIKey of 2-[(2-amino-6-hydrazinylpurin-9-yl)methyl]propane-1,3-diol?
The InChIKey is QHDVWXDDTREGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7O2/c10-9-13-7(15-11)6-8(14-9)16(4-12-6)1-5(2-17)3-18/h4-5,17-18H,1-3,11H2,(H3,10,13,14,15).
What are the key properties of 2-[(2-amino-6-hydrazinylpurin-9-yl)methyl]propane-1,3-diol?
2-[(2-amino-6-hydrazinylpurin-9-yl)methyl]propane-1,3-diol has a molecular weight of 253.27 g/mol, XLogP of -1.71, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-hydrazinylpurin-9-yl)methyl]propane-1,3-diol is sourced from PubChem (CID 15516210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).