2-cyclopentyl-6-(hydroxyamino)-7,9-dihydropurin-8-one

C10H13N5O2 — CID 87327004

IUPAC2-cyclopentyl-6-(hydroxyamino)-7,9-dihydropurin-8-one
SMILESO=c1[nH]c2nc(C3CCCC3)nc(NO)c2[nH]1
InChIInChI=1S/C10H13N5O2/c16-10-11-6-8(14-10)12-7(13-9(6)15-17)5-3-1-2-4-5/h5,17H,1-4H2,(H3,11,12,13,14,15,16)
InChIKeyPZRPGAJORDFTPU-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.10
Rot. Bonds2

About 2-cyclopentyl-6-(hydroxyamino)-7,9-dihydropurin-8-one

2-cyclopentyl-6-(hydroxyamino)-7,9-dihydropurin-8-one (PubChem CID 87327004) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-cyclopentyl-6-(hydroxyamino)-7,9-dihydropurin-8-one.

Molecular Properties

Compound Name2-cyclopentyl-6-(hydroxyamino)-7,9-dihydropurin-8-one
PubChem CID87327004
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-cyclopentyl-6-(hydroxyamino)-7,9-dihydropurin-8-one
SMILESO=c1[nH]c2nc(C3CCCC3)nc(NO)c2[nH]1
InChIInChI=1S/C10H13N5O2/c16-10-11-6-8(14-10)12-7(13-9(6)15-17)5-3-1-2-4-5/h5,17H,1-4H2,(H3,11,12,13,14,15,16)
InChIKeyPZRPGAJORDFTPU-UHFFFAOYSA-N
XLogP1.10
TPSA106.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-(hydroxyamino)-7,9-dihydropurin-8-one?
The IUPAC name of 2-cyclopentyl-6-(hydroxyamino)-7,9-dihydropurin-8-one (CID 87327004) is 2-cyclopentyl-6-(hydroxyamino)-7,9-dihydropurin-8-one.
What is the SMILES notation for 2-cyclopentyl-6-(hydroxyamino)-7,9-dihydropurin-8-one?
The canonical SMILES for 2-cyclopentyl-6-(hydroxyamino)-7,9-dihydropurin-8-one is O=c1[nH]c2nc(C3CCCC3)nc(NO)c2[nH]1.
What is the InChIKey of 2-cyclopentyl-6-(hydroxyamino)-7,9-dihydropurin-8-one?
The InChIKey is PZRPGAJORDFTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c16-10-11-6-8(14-10)12-7(13-9(6)15-17)5-3-1-2-4-5/h5,17H,1-4H2,(H3,11,12,13,14,15,16).
What are the key properties of 2-cyclopentyl-6-(hydroxyamino)-7,9-dihydropurin-8-one?
2-cyclopentyl-6-(hydroxyamino)-7,9-dihydropurin-8-one has a molecular weight of 235.25 g/mol, XLogP of 1.10, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-(hydroxyamino)-7,9-dihydropurin-8-one is sourced from PubChem (CID 87327004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).