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

C6H12N6O3 — CID 46226433

IUPACN-[4-[hydroxy(methyl)amino]-6-(methoxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine
SMILESCONc1nc(N(C)O)nc(N(C)O)n1
InChIInChI=1S/C6H12N6O3/c1-11(13)5-7-4(10-15-3)8-6(9-5)12(2)14/h13-14H,1-3H3,(H,7,8,9,10)
InChIKeyMLZKYEACQNFLEJ-UHFFFAOYSA-N
MW216.20 g/mol
LogP-0.50
Rot. Bonds4

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

N-[4-[hydroxy(methyl)amino]-6-(methoxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine (PubChem CID 46226433) has the molecular formula C6H12N6O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is N-[4-[hydroxy(methyl)amino]-6-(methoxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[4-[hydroxy(methyl)amino]-6-(methoxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine
PubChem CID46226433
Molecular FormulaC6H12N6O3
Molecular Weight216.20 g/mol
Exact Mass216.10
IUPAC NameN-[4-[hydroxy(methyl)amino]-6-(methoxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine
SMILESCONc1nc(N(C)O)nc(N(C)O)n1
InChIInChI=1S/C6H12N6O3/c1-11(13)5-7-4(10-15-3)8-6(9-5)12(2)14/h13-14H,1-3H3,(H,7,8,9,10)
InChIKeyMLZKYEACQNFLEJ-UHFFFAOYSA-N
XLogP-0.50
TPSA106.87 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[hydroxy(methyl)amino]-6-(methoxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[hydroxy(methyl)amino]-6-(methoxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The IUPAC name of N-[4-[hydroxy(methyl)amino]-6-(methoxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine (CID 46226433) is N-[4-[hydroxy(methyl)amino]-6-(methoxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine.
What is the SMILES notation for N-[4-[hydroxy(methyl)amino]-6-(methoxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The canonical SMILES for N-[4-[hydroxy(methyl)amino]-6-(methoxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine is CONc1nc(N(C)O)nc(N(C)O)n1.
What is the InChIKey of N-[4-[hydroxy(methyl)amino]-6-(methoxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The InChIKey is MLZKYEACQNFLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6O3/c1-11(13)5-7-4(10-15-3)8-6(9-5)12(2)14/h13-14H,1-3H3,(H,7,8,9,10).
What are the key properties of N-[4-[hydroxy(methyl)amino]-6-(methoxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
N-[4-[hydroxy(methyl)amino]-6-(methoxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine has a molecular weight of 216.20 g/mol, XLogP of -0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[hydroxy(methyl)amino]-6-(methoxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine is sourced from PubChem (CID 46226433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).