N-[4-[hydroxy(methyl)amino]-6-methoxy-1,3,5-triazin-2-yl]-N-methylhydroxylamine

C6H11N5O3 — CID 46191705

IUPACN-[4-[hydroxy(methyl)amino]-6-methoxy-1,3,5-triazin-2-yl]-N-methylhydroxylamine
SMILESCOc1nc(N(C)O)nc(N(C)O)n1
InChIInChI=1S/C6H11N5O3/c1-10(12)4-7-5(11(2)13)9-6(8-4)14-3/h12-13H,1-3H3
InChIKeyHQAHWTQLPXNUQZ-UHFFFAOYSA-N
MW201.19 g/mol
LogP-0.47
Rot. Bonds3

About N-[4-[hydroxy(methyl)amino]-6-methoxy-1,3,5-triazin-2-yl]-N-methylhydroxylamine

N-[4-[hydroxy(methyl)amino]-6-methoxy-1,3,5-triazin-2-yl]-N-methylhydroxylamine (PubChem CID 46191705) has the molecular formula C6H11N5O3 and a molecular weight of 201.19 g/mol. Its IUPAC name is N-[4-[hydroxy(methyl)amino]-6-methoxy-1,3,5-triazin-2-yl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[4-[hydroxy(methyl)amino]-6-methoxy-1,3,5-triazin-2-yl]-N-methylhydroxylamine
PubChem CID46191705
Molecular FormulaC6H11N5O3
Molecular Weight201.19 g/mol
Exact Mass201.09
IUPAC NameN-[4-[hydroxy(methyl)amino]-6-methoxy-1,3,5-triazin-2-yl]-N-methylhydroxylamine
SMILESCOc1nc(N(C)O)nc(N(C)O)n1
InChIInChI=1S/C6H11N5O3/c1-10(12)4-7-5(11(2)13)9-6(8-4)14-3/h12-13H,1-3H3
InChIKeyHQAHWTQLPXNUQZ-UHFFFAOYSA-N
XLogP-0.47
TPSA94.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[hydroxy(methyl)amino]-6-methoxy-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The IUPAC name of N-[4-[hydroxy(methyl)amino]-6-methoxy-1,3,5-triazin-2-yl]-N-methylhydroxylamine (CID 46191705) is N-[4-[hydroxy(methyl)amino]-6-methoxy-1,3,5-triazin-2-yl]-N-methylhydroxylamine.
What is the SMILES notation for N-[4-[hydroxy(methyl)amino]-6-methoxy-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The canonical SMILES for N-[4-[hydroxy(methyl)amino]-6-methoxy-1,3,5-triazin-2-yl]-N-methylhydroxylamine is COc1nc(N(C)O)nc(N(C)O)n1.
What is the InChIKey of N-[4-[hydroxy(methyl)amino]-6-methoxy-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The InChIKey is HQAHWTQLPXNUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O3/c1-10(12)4-7-5(11(2)13)9-6(8-4)14-3/h12-13H,1-3H3.
What are the key properties of N-[4-[hydroxy(methyl)amino]-6-methoxy-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
N-[4-[hydroxy(methyl)amino]-6-methoxy-1,3,5-triazin-2-yl]-N-methylhydroxylamine has a molecular weight of 201.19 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[hydroxy(methyl)amino]-6-methoxy-1,3,5-triazin-2-yl]-N-methylhydroxylamine is sourced from PubChem (CID 46191705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).