diazanium;9-[(1R,4S)-4-(phosphonatomethoxy)cyclopent-2-en-1-yl]purin-6-amine

C11H20N7O4P — CID 171628949

IUPACdiazanium;9-[(1R,4S)-4-(phosphonatomethoxy)cyclopent-2-en-1-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2[C@H]1C=C[C@@H](OCP(=O)([O-])[O-])C1.[NH4+].[NH4+]
InChIInChI=1S/C11H14N5O4P.2H3N/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-2-8(3-7)20-6-21(17,18)19;;/h1-2,4-5,7-8H,3,6H2,(H2,12,13,14)(H2,17,18,19);2*1H3/t7-,8+;;/m0../s1
InChIKeyZRTBHDHRXIXSAU-OXOJUWDDSA-N
MW345.30 g/mol
LogP-0.08
Rot. Bonds4

About diazanium;9-[(1R,4S)-4-(phosphonatomethoxy)cyclopent-2-en-1-yl]purin-6-amine

diazanium;9-[(1R,4S)-4-(phosphonatomethoxy)cyclopent-2-en-1-yl]purin-6-amine (PubChem CID 171628949) has the molecular formula C11H20N7O4P and a molecular weight of 345.30 g/mol. Its IUPAC name is diazanium;9-[(1R,4S)-4-(phosphonatomethoxy)cyclopent-2-en-1-yl]purin-6-amine.

Molecular Properties

Compound Namediazanium;9-[(1R,4S)-4-(phosphonatomethoxy)cyclopent-2-en-1-yl]purin-6-amine
PubChem CID171628949
Molecular FormulaC11H20N7O4P
Molecular Weight345.30 g/mol
Exact Mass345.13
IUPAC Namediazanium;9-[(1R,4S)-4-(phosphonatomethoxy)cyclopent-2-en-1-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2[C@H]1C=C[C@@H](OCP(=O)([O-])[O-])C1.[NH4+].[NH4+]
InChIInChI=1S/C11H14N5O4P.2H3N/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-2-8(3-7)20-6-21(17,18)19;;/h1-2,4-5,7-8H,3,6H2,(H2,12,13,14)(H2,17,18,19);2*1H3/t7-,8+;;/m0../s1
InChIKeyZRTBHDHRXIXSAU-OXOJUWDDSA-N
XLogP-0.08
TPSA215.04 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze diazanium;9-[(1R,4S)-4-(phosphonatomethoxy)cyclopent-2-en-1-yl]purin-6-amine 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

[(1S,4R)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxymethyl-[[dibromo-[hydroxy(dioxido)phosphaniumyl]methyl]-hydroxyphosphoryl]oxyphosphinate
CID 101037812
2-[4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetic acid
CID 20779328
methyl 2-[4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetate
CID 20779356
disodium;9-[(2R,4R)-4-(phosphonatomethoxy)oxolan-2-yl]purin-6-amine
CID 11222102
[4-(2-amino-6-oxo-1H-purin-9-yl)cyclopent-2-en-1-yl]oxymethyl-[[[[[4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxymethyl-hydroxyphosphoryl]oxy-hydroxyphosphoryl]-difluoromethyl]-hydroxyphosphoryl]oxyphosphinic acid
CID 135986098
[[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 21059656
4-(6-aminopurin-9-yl)cyclopent-2-ene-1-carbonitrile
CID 22985708
9-(4-methyliodanuidylcyclopent-2-en-1-yl)purin-6-amine
CID 149235601
9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purin-6-amine
CID 10827148
disodium;(1R)-1-[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonatomethoxy)oxolan-2-yl]ethane-1,2-diol
CID 51051213
[(1S,2S,4R,5R)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]oxymethylphosphonic acid
CID 50900871
9-[(4R)-4-azidocyclopent-2-en-1-yl]purin-6-amine
CID 174354464

Frequently Asked Questions

What is the IUPAC name of diazanium;9-[(1R,4S)-4-(phosphonatomethoxy)cyclopent-2-en-1-yl]purin-6-amine?
The IUPAC name of diazanium;9-[(1R,4S)-4-(phosphonatomethoxy)cyclopent-2-en-1-yl]purin-6-amine (CID 171628949) is diazanium;9-[(1R,4S)-4-(phosphonatomethoxy)cyclopent-2-en-1-yl]purin-6-amine.
What is the SMILES notation for diazanium;9-[(1R,4S)-4-(phosphonatomethoxy)cyclopent-2-en-1-yl]purin-6-amine?
The canonical SMILES for diazanium;9-[(1R,4S)-4-(phosphonatomethoxy)cyclopent-2-en-1-yl]purin-6-amine is Nc1ncnc2c1ncn2[C@H]1C=C[C@@H](OCP(=O)([O-])[O-])C1.[NH4+].[NH4+].
What is the InChIKey of diazanium;9-[(1R,4S)-4-(phosphonatomethoxy)cyclopent-2-en-1-yl]purin-6-amine?
The InChIKey is ZRTBHDHRXIXSAU-OXOJUWDDSA-N. The full InChI is InChI=1S/C11H14N5O4P.2H3N/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-2-8(3-7)20-6-21(17,18)19;;/h1-2,4-5,7-8H,3,6H2,(H2,12,13,14)(H2,17,18,19);2*1H3/t7-,8+;;/m0../s1.
What are the key properties of diazanium;9-[(1R,4S)-4-(phosphonatomethoxy)cyclopent-2-en-1-yl]purin-6-amine?
diazanium;9-[(1R,4S)-4-(phosphonatomethoxy)cyclopent-2-en-1-yl]purin-6-amine has a molecular weight of 345.30 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;9-[(1R,4S)-4-(phosphonatomethoxy)cyclopent-2-en-1-yl]purin-6-amine is sourced from PubChem (CID 171628949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).