O-[4-(pentan-3-ylideneamino)oxy-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-yl]hydroxylamine

C11H18N6O3 — CID 144612025

IUPACO-[4-(pentan-3-ylideneamino)oxy-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-yl]hydroxylamine
SMILESCCC(CC)=NOc1nc(ON)nc(ON=C(C)C)n1
InChIInChI=1S/C11H18N6O3/c1-5-8(6-2)17-20-11-14-9(18-12)13-10(15-11)19-16-7(3)4/h5-6,12H2,1-4H3
InChIKeyQPVCTLFZVIYHIO-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.45
Rot. Bonds7

About O-[4-(pentan-3-ylideneamino)oxy-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-yl]hydroxylamine

O-[4-(pentan-3-ylideneamino)oxy-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-yl]hydroxylamine (PubChem CID 144612025) has the molecular formula C11H18N6O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is O-[4-(pentan-3-ylideneamino)oxy-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[4-(pentan-3-ylideneamino)oxy-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-yl]hydroxylamine
PubChem CID144612025
Molecular FormulaC11H18N6O3
Molecular Weight282.30 g/mol
Exact Mass282.14
IUPAC NameO-[4-(pentan-3-ylideneamino)oxy-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-yl]hydroxylamine
SMILESCCC(CC)=NOc1nc(ON)nc(ON=C(C)C)n1
InChIInChI=1S/C11H18N6O3/c1-5-8(6-2)17-20-11-14-9(18-12)13-10(15-11)19-16-7(3)4/h5-6,12H2,1-4H3
InChIKeyQPVCTLFZVIYHIO-UHFFFAOYSA-N
XLogP1.45
TPSA117.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 O-[4-(pentan-3-ylideneamino)oxy-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-yl]hydroxylamine?
The IUPAC name of O-[4-(pentan-3-ylideneamino)oxy-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-yl]hydroxylamine (CID 144612025) is O-[4-(pentan-3-ylideneamino)oxy-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-yl]hydroxylamine.
What is the SMILES notation for O-[4-(pentan-3-ylideneamino)oxy-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-yl]hydroxylamine?
The canonical SMILES for O-[4-(pentan-3-ylideneamino)oxy-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-yl]hydroxylamine is CCC(CC)=NOc1nc(ON)nc(ON=C(C)C)n1.
What is the InChIKey of O-[4-(pentan-3-ylideneamino)oxy-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-yl]hydroxylamine?
The InChIKey is QPVCTLFZVIYHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O3/c1-5-8(6-2)17-20-11-14-9(18-12)13-10(15-11)19-16-7(3)4/h5-6,12H2,1-4H3.
What are the key properties of O-[4-(pentan-3-ylideneamino)oxy-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-yl]hydroxylamine?
O-[4-(pentan-3-ylideneamino)oxy-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-yl]hydroxylamine has a molecular weight of 282.30 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for O-[4-(pentan-3-ylideneamino)oxy-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-yl]hydroxylamine is sourced from PubChem (CID 144612025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).