N-[[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]methyl]-N-methylhydroxylamine

C9H18N6O3 — CID 118097764

IUPACN-[[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]methyl]-N-methylhydroxylamine
SMILESCOCNc1nc(CN(C)O)nc(NCOC)n1
InChIInChI=1S/C9H18N6O3/c1-15(16)4-7-12-8(10-5-17-2)14-9(13-7)11-6-18-3/h16H,4-6H2,1-3H3,(H2,10,11,12,13,14)
InChIKeyWQVKGJQAQQVBIQ-UHFFFAOYSA-N
MW258.28 g/mol
LogP-0.28
Rot. Bonds8

About N-[[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]methyl]-N-methylhydroxylamine

N-[[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]methyl]-N-methylhydroxylamine (PubChem CID 118097764) has the molecular formula C9H18N6O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]methyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]methyl]-N-methylhydroxylamine
PubChem CID118097764
Molecular FormulaC9H18N6O3
Molecular Weight258.28 g/mol
Exact Mass258.14
IUPAC NameN-[[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]methyl]-N-methylhydroxylamine
SMILESCOCNc1nc(CN(C)O)nc(NCOC)n1
InChIInChI=1S/C9H18N6O3/c1-15(16)4-7-12-8(10-5-17-2)14-9(13-7)11-6-18-3/h16H,4-6H2,1-3H3,(H2,10,11,12,13,14)
InChIKeyWQVKGJQAQQVBIQ-UHFFFAOYSA-N
XLogP-0.28
TPSA104.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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-bis(methoxymethylamino)-1,3,5-triazin-2-yl]methyl]-N-methylhydroxylamine?
The IUPAC name of N-[[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]methyl]-N-methylhydroxylamine (CID 118097764) is N-[[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]methyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]methyl]-N-methylhydroxylamine?
The canonical SMILES for N-[[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]methyl]-N-methylhydroxylamine is COCNc1nc(CN(C)O)nc(NCOC)n1.
What is the InChIKey of N-[[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]methyl]-N-methylhydroxylamine?
The InChIKey is WQVKGJQAQQVBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O3/c1-15(16)4-7-12-8(10-5-17-2)14-9(13-7)11-6-18-3/h16H,4-6H2,1-3H3,(H2,10,11,12,13,14).
What are the key properties of N-[[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]methyl]-N-methylhydroxylamine?
N-[[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]methyl]-N-methylhydroxylamine has a molecular weight of 258.28 g/mol, XLogP of -0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]methyl]-N-methylhydroxylamine is sourced from PubChem (CID 118097764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).