N-[[4-[[hydroxy(oxido)amino]methyl]-6-(methylamino)-1,3,5-triazin-2-yl]methyl]-N-oxidohydroxylamine

C6H10N6O4-2 — CID 163157057

IUPACN-[[4-[[hydroxy(oxido)amino]methyl]-6-(methylamino)-1,3,5-triazin-2-yl]methyl]-N-oxidohydroxylamine
SMILESCNc1nc(CN([O-])O)nc(CN([O-])O)n1
InChIInChI=1S/C6H10N6O4/c1-7-6-9-4(2-11(13)14)8-5(10-6)3-12(15)16/h13,15H,2-3H2,1H3,(H,7,8,9,10)/q-2
InChIKeyUFHNAPWNZKBJRW-UHFFFAOYSA-N
MW230.18 g/mol
LogP-0.71
Rot. Bonds5

About N-[[4-[[hydroxy(oxido)amino]methyl]-6-(methylamino)-1,3,5-triazin-2-yl]methyl]-N-oxidohydroxylamine

N-[[4-[[hydroxy(oxido)amino]methyl]-6-(methylamino)-1,3,5-triazin-2-yl]methyl]-N-oxidohydroxylamine (PubChem CID 163157057) has the molecular formula C6H10N6O4-2 and a molecular weight of 230.18 g/mol. Its IUPAC name is N-[[4-[[hydroxy(oxido)amino]methyl]-6-(methylamino)-1,3,5-triazin-2-yl]methyl]-N-oxidohydroxylamine.

Molecular Properties

Compound NameN-[[4-[[hydroxy(oxido)amino]methyl]-6-(methylamino)-1,3,5-triazin-2-yl]methyl]-N-oxidohydroxylamine
PubChem CID163157057
Molecular FormulaC6H10N6O4-2
Molecular Weight230.18 g/mol
Exact Mass230.08
IUPAC NameN-[[4-[[hydroxy(oxido)amino]methyl]-6-(methylamino)-1,3,5-triazin-2-yl]methyl]-N-oxidohydroxylamine
SMILESCNc1nc(CN([O-])O)nc(CN([O-])O)n1
InChIInChI=1S/C6H10N6O4/c1-7-6-9-4(2-11(13)14)8-5(10-6)3-12(15)16/h13,15H,2-3H2,1H3,(H,7,8,9,10)/q-2
InChIKeyUFHNAPWNZKBJRW-UHFFFAOYSA-N
XLogP-0.71
TPSA143.76 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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(oxido)amino]methyl]-6-(methylamino)-1,3,5-triazin-2-yl]methyl]-N-oxidohydroxylamine?
The IUPAC name of N-[[4-[[hydroxy(oxido)amino]methyl]-6-(methylamino)-1,3,5-triazin-2-yl]methyl]-N-oxidohydroxylamine (CID 163157057) is N-[[4-[[hydroxy(oxido)amino]methyl]-6-(methylamino)-1,3,5-triazin-2-yl]methyl]-N-oxidohydroxylamine.
What is the SMILES notation for N-[[4-[[hydroxy(oxido)amino]methyl]-6-(methylamino)-1,3,5-triazin-2-yl]methyl]-N-oxidohydroxylamine?
The canonical SMILES for N-[[4-[[hydroxy(oxido)amino]methyl]-6-(methylamino)-1,3,5-triazin-2-yl]methyl]-N-oxidohydroxylamine is CNc1nc(CN([O-])O)nc(CN([O-])O)n1.
What is the InChIKey of N-[[4-[[hydroxy(oxido)amino]methyl]-6-(methylamino)-1,3,5-triazin-2-yl]methyl]-N-oxidohydroxylamine?
The InChIKey is UFHNAPWNZKBJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O4/c1-7-6-9-4(2-11(13)14)8-5(10-6)3-12(15)16/h13,15H,2-3H2,1H3,(H,7,8,9,10)/q-2.
What are the key properties of N-[[4-[[hydroxy(oxido)amino]methyl]-6-(methylamino)-1,3,5-triazin-2-yl]methyl]-N-oxidohydroxylamine?
N-[[4-[[hydroxy(oxido)amino]methyl]-6-(methylamino)-1,3,5-triazin-2-yl]methyl]-N-oxidohydroxylamine has a molecular weight of 230.18 g/mol, XLogP of -0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[hydroxy(oxido)amino]methyl]-6-(methylamino)-1,3,5-triazin-2-yl]methyl]-N-oxidohydroxylamine is sourced from PubChem (CID 163157057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).