N-(triazin-4-yl)hydroxylamine

C3H4N4O — CID 137242491

IUPACN-(triazin-4-yl)hydroxylamine
SMILESONc1ccnnn1
InChIInChI=1S/C3H4N4O/c8-6-3-1-2-4-7-5-3/h1-2,8H,(H,4,5,6)
InChIKeyFLNMVKRFTOMUHM-UHFFFAOYSA-N
MW112.09 g/mol
LogP-0.33
Rot. Bonds1

About N-(triazin-4-yl)hydroxylamine

N-(triazin-4-yl)hydroxylamine (PubChem CID 137242491) has the molecular formula C3H4N4O and a molecular weight of 112.09 g/mol. Its IUPAC name is N-(triazin-4-yl)hydroxylamine.

Molecular Properties

Compound NameN-(triazin-4-yl)hydroxylamine
PubChem CID137242491
Molecular FormulaC3H4N4O
Molecular Weight112.09 g/mol
Exact Mass112.04
IUPAC NameN-(triazin-4-yl)hydroxylamine
SMILESONc1ccnnn1
InChIInChI=1S/C3H4N4O/c8-6-3-1-2-4-7-5-3/h1-2,8H,(H,4,5,6)
InChIKeyFLNMVKRFTOMUHM-UHFFFAOYSA-N
XLogP-0.33
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
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 N-(triazin-4-yl)hydroxylamine?
The IUPAC name of N-(triazin-4-yl)hydroxylamine (CID 137242491) is N-(triazin-4-yl)hydroxylamine.
What is the SMILES notation for N-(triazin-4-yl)hydroxylamine?
The canonical SMILES for N-(triazin-4-yl)hydroxylamine is ONc1ccnnn1.
What is the InChIKey of N-(triazin-4-yl)hydroxylamine?
The InChIKey is FLNMVKRFTOMUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4O/c8-6-3-1-2-4-7-5-3/h1-2,8H,(H,4,5,6).
What are the key properties of N-(triazin-4-yl)hydroxylamine?
N-(triazin-4-yl)hydroxylamine has a molecular weight of 112.09 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(triazin-4-yl)hydroxylamine is sourced from PubChem (CID 137242491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).