N-[4-(hydroxyamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydroxylamine

C7H12N6O3 — CID 45029486

IUPACN-[4-(hydroxyamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydroxylamine
SMILESONc1nc(NO)nc(N2CCOCC2)n1
InChIInChI=1S/C7H12N6O3/c14-11-5-8-6(12-15)10-7(9-5)13-1-3-16-4-2-13/h14-15H,1-4H2,(H2,8,9,10,11,12)
InChIKeyGBBMHUZDNQNFDF-UHFFFAOYSA-N
MW228.21 g/mol
LogP-0.69
Rot. Bonds3

About N-[4-(hydroxyamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydroxylamine

N-[4-(hydroxyamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydroxylamine (PubChem CID 45029486) has the molecular formula C7H12N6O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is N-[4-(hydroxyamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[4-(hydroxyamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydroxylamine
PubChem CID45029486
Molecular FormulaC7H12N6O3
Molecular Weight228.21 g/mol
Exact Mass228.10
IUPAC NameN-[4-(hydroxyamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydroxylamine
SMILESONc1nc(NO)nc(N2CCOCC2)n1
InChIInChI=1S/C7H12N6O3/c14-11-5-8-6(12-15)10-7(9-5)13-1-3-16-4-2-13/h14-15H,1-4H2,(H2,8,9,10,11,12)
InChIKeyGBBMHUZDNQNFDF-UHFFFAOYSA-N
XLogP-0.69
TPSA115.66 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-0.69
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxyamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydroxylamine?
The IUPAC name of N-[4-(hydroxyamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydroxylamine (CID 45029486) is N-[4-(hydroxyamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydroxylamine.
What is the SMILES notation for N-[4-(hydroxyamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydroxylamine?
The canonical SMILES for N-[4-(hydroxyamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydroxylamine is ONc1nc(NO)nc(N2CCOCC2)n1.
What is the InChIKey of N-[4-(hydroxyamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydroxylamine?
The InChIKey is GBBMHUZDNQNFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O3/c14-11-5-8-6(12-15)10-7(9-5)13-1-3-16-4-2-13/h14-15H,1-4H2,(H2,8,9,10,11,12).
What are the key properties of N-[4-(hydroxyamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydroxylamine?
N-[4-(hydroxyamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydroxylamine has a molecular weight of 228.21 g/mol, XLogP of -0.69, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxyamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydroxylamine is sourced from PubChem (CID 45029486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).