2-N,4-N-diethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine

C10H18N6O — CID 667824

IUPAC2-N,4-N-diethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC)nc(ON=C(C)C)n1
InChIInChI=1S/C10H18N6O/c1-5-11-8-13-9(12-6-2)15-10(14-8)17-16-7(3)4/h5-6H2,1-4H3,(H2,11,12,13,14,15)
InChIKeyXEZOJPDHPHUCGT-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.51
Rot. Bonds6

About 2-N,4-N-diethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine

2-N,4-N-diethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine (PubChem CID 667824) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-N,4-N-diethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine
PubChem CID667824
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name2-N,4-N-diethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC)nc(ON=C(C)C)n1
InChIInChI=1S/C10H18N6O/c1-5-11-8-13-9(12-6-2)15-10(14-8)17-16-7(3)4/h5-6H2,1-4H3,(H2,11,12,13,14,15)
InChIKeyXEZOJPDHPHUCGT-UHFFFAOYSA-N
XLogP1.51
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 2-N,4-N-diethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-diethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine (CID 667824) is 2-N,4-N-diethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-diethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine is CCNc1nc(NCC)nc(ON=C(C)C)n1.
What is the InChIKey of 2-N,4-N-diethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine?
The InChIKey is XEZOJPDHPHUCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-5-11-8-13-9(12-6-2)15-10(14-8)17-16-7(3)4/h5-6H2,1-4H3,(H2,11,12,13,14,15).
What are the key properties of 2-N,4-N-diethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine?
2-N,4-N-diethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine has a molecular weight of 238.29 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 667824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).