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

C3H2Cl2N4O — CID 89401722

IUPACN-(4,6-dichloro-1,3,5-triazin-2-yl)hydroxylamine
SMILESONc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C3H2Cl2N4O/c4-1-6-2(5)8-3(7-1)9-10/h10H,(H,6,7,8,9)
InChIKeyIPGGMDBLXNRRSV-UHFFFAOYSA-N
MW180.98 g/mol
LogP0.98
Rot. Bonds1

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

N-(4,6-dichloro-1,3,5-triazin-2-yl)hydroxylamine (PubChem CID 89401722) has the molecular formula C3H2Cl2N4O and a molecular weight of 180.98 g/mol. Its IUPAC name is N-(4,6-dichloro-1,3,5-triazin-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(4,6-dichloro-1,3,5-triazin-2-yl)hydroxylamine
PubChem CID89401722
Molecular FormulaC3H2Cl2N4O
Molecular Weight180.98 g/mol
Exact Mass179.96
IUPAC NameN-(4,6-dichloro-1,3,5-triazin-2-yl)hydroxylamine
SMILESONc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C3H2Cl2N4O/c4-1-6-2(5)8-3(7-1)9-10/h10H,(H,6,7,8,9)
InChIKeyIPGGMDBLXNRRSV-UHFFFAOYSA-N
XLogP0.98
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.98
LogP ≤ 50.98
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-(4,6-dichloro-1,3,5-triazin-2-yl)hydroxylamine?
The IUPAC name of N-(4,6-dichloro-1,3,5-triazin-2-yl)hydroxylamine (CID 89401722) is N-(4,6-dichloro-1,3,5-triazin-2-yl)hydroxylamine.
What is the SMILES notation for N-(4,6-dichloro-1,3,5-triazin-2-yl)hydroxylamine?
The canonical SMILES for N-(4,6-dichloro-1,3,5-triazin-2-yl)hydroxylamine is ONc1nc(Cl)nc(Cl)n1.
What is the InChIKey of N-(4,6-dichloro-1,3,5-triazin-2-yl)hydroxylamine?
The InChIKey is IPGGMDBLXNRRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Cl2N4O/c4-1-6-2(5)8-3(7-1)9-10/h10H,(H,6,7,8,9).
What are the key properties of N-(4,6-dichloro-1,3,5-triazin-2-yl)hydroxylamine?
N-(4,6-dichloro-1,3,5-triazin-2-yl)hydroxylamine has a molecular weight of 180.98 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-1,3,5-triazin-2-yl)hydroxylamine is sourced from PubChem (CID 89401722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).