O-pteridin-2-ylhydroxylamine

C6H5N5O — CID 67883080

IUPACO-pteridin-2-ylhydroxylamine
SMILESNOc1ncc2nccnc2n1
InChIInChI=1S/C6H5N5O/c7-12-6-10-3-4-5(11-6)9-2-1-8-4/h1-3H,7H2
InChIKeyCLWVZXZSFDZYPI-UHFFFAOYSA-N
MW163.14 g/mol
LogP-0.33
Rot. Bonds1

About O-pteridin-2-ylhydroxylamine

O-pteridin-2-ylhydroxylamine (PubChem CID 67883080) has the molecular formula C6H5N5O and a molecular weight of 163.14 g/mol. Its IUPAC name is O-pteridin-2-ylhydroxylamine.

Molecular Properties

Compound NameO-pteridin-2-ylhydroxylamine
PubChem CID67883080
Molecular FormulaC6H5N5O
Molecular Weight163.14 g/mol
Exact Mass163.05
IUPAC NameO-pteridin-2-ylhydroxylamine
SMILESNOc1ncc2nccnc2n1
InChIInChI=1S/C6H5N5O/c7-12-6-10-3-4-5(11-6)9-2-1-8-4/h1-3H,7H2
InChIKeyCLWVZXZSFDZYPI-UHFFFAOYSA-N
XLogP-0.33
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 O-pteridin-2-ylhydroxylamine?
The IUPAC name of O-pteridin-2-ylhydroxylamine (CID 67883080) is O-pteridin-2-ylhydroxylamine.
What is the SMILES notation for O-pteridin-2-ylhydroxylamine?
The canonical SMILES for O-pteridin-2-ylhydroxylamine is NOc1ncc2nccnc2n1.
What is the InChIKey of O-pteridin-2-ylhydroxylamine?
The InChIKey is CLWVZXZSFDZYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O/c7-12-6-10-3-4-5(11-6)9-2-1-8-4/h1-3H,7H2.
What are the key properties of O-pteridin-2-ylhydroxylamine?
O-pteridin-2-ylhydroxylamine has a molecular weight of 163.14 g/mol, XLogP of -0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O-pteridin-2-ylhydroxylamine is sourced from PubChem (CID 67883080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).