4-ethoxy-N'-hydroxy-6-(N-phenylanilino)-1,3,5-triazine-2-carboximidamide

C18H18N6O2 — CID 135517606

IUPAC4-ethoxy-N'-hydroxy-6-(N-phenylanilino)-1,3,5-triazine-2-carboximidamide
SMILESCCOc1nc(/C(N)=N\O)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C18H18N6O2/c1-2-26-18-21-16(15(19)23-25)20-17(22-18)24(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,25H,2H2,1H3,(H2,19,23)
InChIKeyKQXPUBYYLZTTEL-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.83
Rot. Bonds6

About 4-ethoxy-N'-hydroxy-6-(N-phenylanilino)-1,3,5-triazine-2-carboximidamide

4-ethoxy-N'-hydroxy-6-(N-phenylanilino)-1,3,5-triazine-2-carboximidamide (PubChem CID 135517606) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-ethoxy-N'-hydroxy-6-(N-phenylanilino)-1,3,5-triazine-2-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N'-hydroxy-6-(N-phenylanilino)-1,3,5-triazine-2-carboximidamide
PubChem CID135517606
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name4-ethoxy-N'-hydroxy-6-(N-phenylanilino)-1,3,5-triazine-2-carboximidamide
SMILESCCOc1nc(/C(N)=N\O)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C18H18N6O2/c1-2-26-18-21-16(15(19)23-25)20-17(22-18)24(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,25H,2H2,1H3,(H2,19,23)
InChIKeyKQXPUBYYLZTTEL-UHFFFAOYSA-N
XLogP2.83
TPSA109.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 4-ethoxy-N'-hydroxy-6-(N-phenylanilino)-1,3,5-triazine-2-carboximidamide?
The IUPAC name of 4-ethoxy-N'-hydroxy-6-(N-phenylanilino)-1,3,5-triazine-2-carboximidamide (CID 135517606) is 4-ethoxy-N'-hydroxy-6-(N-phenylanilino)-1,3,5-triazine-2-carboximidamide.
What is the SMILES notation for 4-ethoxy-N'-hydroxy-6-(N-phenylanilino)-1,3,5-triazine-2-carboximidamide?
The canonical SMILES for 4-ethoxy-N'-hydroxy-6-(N-phenylanilino)-1,3,5-triazine-2-carboximidamide is CCOc1nc(/C(N)=N\O)nc(N(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 4-ethoxy-N'-hydroxy-6-(N-phenylanilino)-1,3,5-triazine-2-carboximidamide?
The InChIKey is KQXPUBYYLZTTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-2-26-18-21-16(15(19)23-25)20-17(22-18)24(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,25H,2H2,1H3,(H2,19,23).
What are the key properties of 4-ethoxy-N'-hydroxy-6-(N-phenylanilino)-1,3,5-triazine-2-carboximidamide?
4-ethoxy-N'-hydroxy-6-(N-phenylanilino)-1,3,5-triazine-2-carboximidamide has a molecular weight of 350.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-hydroxy-6-(N-phenylanilino)-1,3,5-triazine-2-carboximidamide is sourced from PubChem (CID 135517606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).