N-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydroxylamine

C5H8N4O3 — CID 71443744

IUPACN-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydroxylamine
SMILESCOc1nc(NO)nc(OC)n1
InChIInChI=1S/C5H8N4O3/c1-11-4-6-3(9-10)7-5(8-4)12-2/h10H,1-2H3,(H,6,7,8,9)
InChIKeyWRBBZYORRSENMS-UHFFFAOYSA-N
MW172.14 g/mol
LogP-0.31
Rot. Bonds3

About N-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydroxylamine

N-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydroxylamine (PubChem CID 71443744) has the molecular formula C5H8N4O3 and a molecular weight of 172.14 g/mol. Its IUPAC name is N-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydroxylamine
PubChem CID71443744
Molecular FormulaC5H8N4O3
Molecular Weight172.14 g/mol
Exact Mass172.06
IUPAC NameN-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydroxylamine
SMILESCOc1nc(NO)nc(OC)n1
InChIInChI=1S/C5H8N4O3/c1-11-4-6-3(9-10)7-5(8-4)12-2/h10H,1-2H3,(H,6,7,8,9)
InChIKeyWRBBZYORRSENMS-UHFFFAOYSA-N
XLogP-0.31
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydroxylamine?
The IUPAC name of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydroxylamine (CID 71443744) is N-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydroxylamine.
What is the SMILES notation for N-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydroxylamine?
The canonical SMILES for N-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydroxylamine is COc1nc(NO)nc(OC)n1.
What is the InChIKey of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydroxylamine?
The InChIKey is WRBBZYORRSENMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O3/c1-11-4-6-3(9-10)7-5(8-4)12-2/h10H,1-2H3,(H,6,7,8,9).
What are the key properties of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydroxylamine?
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydroxylamine has a molecular weight of 172.14 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydroxylamine is sourced from PubChem (CID 71443744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).