N-[[4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]propan-2-imine

C12H18N6O3 — CID 90113126

IUPACN-[[4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]propan-2-imine
SMILESCC(C)=NOc1nc(ON=C(C)C)nc(ON=C(C)C)n1
InChIInChI=1S/C12H18N6O3/c1-7(2)16-19-10-13-11(20-17-8(3)4)15-12(14-10)21-18-9(5)6/h1-6H3
InChIKeyFCWZCIIHOUOESS-UHFFFAOYSA-N
MW294.32 g/mol
LogP2.20
Rot. Bonds6

About N-[[4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]propan-2-imine

N-[[4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]propan-2-imine (PubChem CID 90113126) has the molecular formula C12H18N6O3 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-[[4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]propan-2-imine.

Molecular Properties

Compound NameN-[[4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]propan-2-imine
PubChem CID90113126
Molecular FormulaC12H18N6O3
Molecular Weight294.32 g/mol
Exact Mass294.14
IUPAC NameN-[[4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]propan-2-imine
SMILESCC(C)=NOc1nc(ON=C(C)C)nc(ON=C(C)C)n1
InChIInChI=1S/C12H18N6O3/c1-7(2)16-19-10-13-11(20-17-8(3)4)15-12(14-10)21-18-9(5)6/h1-6H3
InChIKeyFCWZCIIHOUOESS-UHFFFAOYSA-N
XLogP2.20
TPSA103.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
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 N-[[4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]propan-2-imine?
The IUPAC name of N-[[4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]propan-2-imine (CID 90113126) is N-[[4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]propan-2-imine.
What is the SMILES notation for N-[[4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]propan-2-imine?
The canonical SMILES for N-[[4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]propan-2-imine is CC(C)=NOc1nc(ON=C(C)C)nc(ON=C(C)C)n1.
What is the InChIKey of N-[[4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]propan-2-imine?
The InChIKey is FCWZCIIHOUOESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O3/c1-7(2)16-19-10-13-11(20-17-8(3)4)15-12(14-10)21-18-9(5)6/h1-6H3.
What are the key properties of N-[[4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]propan-2-imine?
N-[[4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]propan-2-imine has a molecular weight of 294.32 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]propan-2-imine is sourced from PubChem (CID 90113126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).