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

C4H8N6O3 — CID 54375896

IUPACN-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine
SMILESCN(O)c1nc(N)nc(N(O)O)n1
InChIInChI=1S/C4H8N6O3/c1-9(11)3-6-2(5)7-4(8-3)10(12)13/h11-13H,1H3,(H2,5,6,7,8)
InChIKeyUWLSCFMLCFOANZ-UHFFFAOYSA-N
MW188.15 g/mol
LogP-1.14
Rot. Bonds2

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

N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine (PubChem CID 54375896) has the molecular formula C4H8N6O3 and a molecular weight of 188.15 g/mol. Its IUPAC name is N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine
PubChem CID54375896
Molecular FormulaC4H8N6O3
Molecular Weight188.15 g/mol
Exact Mass188.07
IUPAC NameN-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine
SMILESCN(O)c1nc(N)nc(N(O)O)n1
InChIInChI=1S/C4H8N6O3/c1-9(11)3-6-2(5)7-4(8-3)10(12)13/h11-13H,1H3,(H2,5,6,7,8)
InChIKeyUWLSCFMLCFOANZ-UHFFFAOYSA-N
XLogP-1.14
TPSA131.86 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-N,4-N,4-N-tetrahydroxy-1,3,5-triazine-2,4,6-triamine
CID 156633046
2-N-(4,6-diamino-1,3,5-triazin-2-yl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 144607170
N-[4-(diethylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 21135101
2-N,2-N,4-N-triethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80774543
[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanediol
CID 159467216
2-N-[2-[[4-chloro-6-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 89059466
2-[[[4-amino-6-[(2-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol
CID 70938061
2-N-ethyl-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 59816813
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]-N,N-dimethylacetamide
CID 80780070
N-(4-aminoquinazolin-2-yl)-N-methylhydroxylamine
CID 89468446
2-N,4-N,4-N-trimethyl-2-N-(oxan-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80845884
2-N-cyclopropyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80774808

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The IUPAC name of N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine (CID 54375896) is N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine.
What is the SMILES notation for N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The canonical SMILES for N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine is CN(O)c1nc(N)nc(N(O)O)n1.
What is the InChIKey of N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The InChIKey is UWLSCFMLCFOANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6O3/c1-9(11)3-6-2(5)7-4(8-3)10(12)13/h11-13H,1H3,(H2,5,6,7,8).
What are the key properties of N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine has a molecular weight of 188.15 g/mol, XLogP of -1.14, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine is sourced from PubChem (CID 54375896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).