N-[5-(hydroxyamino)-1,3,3a,7a-tetrahydro-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydroxylamine

C4H8N6O3 — CID 137267531

IUPACN-[5-(hydroxyamino)-1,3,3a,7a-tetrahydro-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydroxylamine
SMILESONC1=NC2NONC2N=C1NO
InChIInChI=1S/C4H8N6O3/c11-7-1-2(8-12)6-4-3(5-1)9-13-10-4/h3-4,9-12H,(H,5,7)(H,6,8)
InChIKeyBOSOMFKGMXKPOM-UHFFFAOYSA-N
MW188.15 g/mol
LogP-2.55
Rot. Bonds

About N-[5-(hydroxyamino)-1,3,3a,7a-tetrahydro-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydroxylamine

N-[5-(hydroxyamino)-1,3,3a,7a-tetrahydro-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydroxylamine (PubChem CID 137267531) has the molecular formula C4H8N6O3 and a molecular weight of 188.15 g/mol. Its IUPAC name is N-[5-(hydroxyamino)-1,3,3a,7a-tetrahydro-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydroxylamine.

Molecular Properties

Compound NameN-[5-(hydroxyamino)-1,3,3a,7a-tetrahydro-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydroxylamine
PubChem CID137267531
Molecular FormulaC4H8N6O3
Molecular Weight188.15 g/mol
Exact Mass188.07
IUPAC NameN-[5-(hydroxyamino)-1,3,3a,7a-tetrahydro-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydroxylamine
SMILESONC1=NC2NONC2N=C1NO
InChIInChI=1S/C4H8N6O3/c11-7-1-2(8-12)6-4-3(5-1)9-13-10-4/h3-4,9-12H,(H,5,7)(H,6,8)
InChIKeyBOSOMFKGMXKPOM-UHFFFAOYSA-N
XLogP-2.55
TPSA122.53 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500188.15
LogP ≤ 5-2.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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 N-[5-(hydroxyamino)-1,3,3a,7a-tetrahydro-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydroxylamine?
The IUPAC name of N-[5-(hydroxyamino)-1,3,3a,7a-tetrahydro-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydroxylamine (CID 137267531) is N-[5-(hydroxyamino)-1,3,3a,7a-tetrahydro-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydroxylamine.
What is the SMILES notation for N-[5-(hydroxyamino)-1,3,3a,7a-tetrahydro-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydroxylamine?
The canonical SMILES for N-[5-(hydroxyamino)-1,3,3a,7a-tetrahydro-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydroxylamine is ONC1=NC2NONC2N=C1NO.
What is the InChIKey of N-[5-(hydroxyamino)-1,3,3a,7a-tetrahydro-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydroxylamine?
The InChIKey is BOSOMFKGMXKPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6O3/c11-7-1-2(8-12)6-4-3(5-1)9-13-10-4/h3-4,9-12H,(H,5,7)(H,6,8).
What are the key properties of N-[5-(hydroxyamino)-1,3,3a,7a-tetrahydro-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydroxylamine?
N-[5-(hydroxyamino)-1,3,3a,7a-tetrahydro-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydroxylamine has a molecular weight of 188.15 g/mol, XLogP of -2.55, 0 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxyamino)-1,3,3a,7a-tetrahydro-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydroxylamine is sourced from PubChem (CID 137267531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).