O-(1,3,5-triazin-2-yl)hydroxylamine

C3H4N4O — CID 68537593

IUPACO-(1,3,5-triazin-2-yl)hydroxylamine
SMILESNOc1ncncn1
InChIInChI=1S/C3H4N4O/c4-8-3-6-1-5-2-7-3/h1-2H,4H2
InChIKeyQTNWGAWVKRGGAZ-UHFFFAOYSA-N
MW112.09 g/mol
LogP-0.88
Rot. Bonds1

About O-(1,3,5-triazin-2-yl)hydroxylamine

O-(1,3,5-triazin-2-yl)hydroxylamine (PubChem CID 68537593) has the molecular formula C3H4N4O and a molecular weight of 112.09 g/mol. Its IUPAC name is O-(1,3,5-triazin-2-yl)hydroxylamine.

Molecular Properties

Compound NameO-(1,3,5-triazin-2-yl)hydroxylamine
PubChem CID68537593
Molecular FormulaC3H4N4O
Molecular Weight112.09 g/mol
Exact Mass112.04
IUPAC NameO-(1,3,5-triazin-2-yl)hydroxylamine
SMILESNOc1ncncn1
InChIInChI=1S/C3H4N4O/c4-8-3-6-1-5-2-7-3/h1-2H,4H2
InChIKeyQTNWGAWVKRGGAZ-UHFFFAOYSA-N
XLogP-0.88
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Triazine-2,4-diamine
CID 10435
1,3,5-Triazin-2-amine
CID 20077
4-Methoxy-1,3,5-triazin-2-amine
CID 14288
Nitroso-sym-triazine
CID 17963390
Water s-triazine
CID 21798619
N-[4-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine
CID 22947674
2-Hydroxyamino-sym-triazine
CID 57011320
1,3,5-Triazine-2,4-diamine--hydrogen chloride (1/1)
CID 71443729
1,3,5-Triazin-2-yl hypofluorite
CID 56974357
1-Hydroxy-1,3,5-triazin-1-ium
CID 123616334
Guanidino-sym-triazine hydrochloride
CID 129792974
N-hydroxy-N'-(1,3,5-triazin-2-yl)methanimidamide
CID 9833978

Frequently Asked Questions

What is the IUPAC name of O-(1,3,5-triazin-2-yl)hydroxylamine?
The IUPAC name of O-(1,3,5-triazin-2-yl)hydroxylamine (CID 68537593) is O-(1,3,5-triazin-2-yl)hydroxylamine.
What is the SMILES notation for O-(1,3,5-triazin-2-yl)hydroxylamine?
The canonical SMILES for O-(1,3,5-triazin-2-yl)hydroxylamine is NOc1ncncn1.
What is the InChIKey of O-(1,3,5-triazin-2-yl)hydroxylamine?
The InChIKey is QTNWGAWVKRGGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4O/c4-8-3-6-1-5-2-7-3/h1-2H,4H2.
What are the key properties of O-(1,3,5-triazin-2-yl)hydroxylamine?
O-(1,3,5-triazin-2-yl)hydroxylamine has a molecular weight of 112.09 g/mol, XLogP of -0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1,3,5-triazin-2-yl)hydroxylamine is sourced from PubChem (CID 68537593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).