4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzamide

C11H11N5O3 — CID 80881678

IUPAC4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzamide
SMILESCOc1nc(N)nc(Oc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C11H11N5O3/c1-18-10-14-9(13)15-11(16-10)19-7-4-2-6(3-5-7)8(12)17/h2-5H,1H3,(H2,12,17)(H2,13,14,15,16)
InChIKeyCKEAECIDNKAUDC-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.35
Rot. Bonds4

About 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzamide

4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzamide (PubChem CID 80881678) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzamide.

Molecular Properties

Compound Name4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzamide
PubChem CID80881678
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzamide
SMILESCOc1nc(N)nc(Oc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C11H11N5O3/c1-18-10-14-9(13)15-11(16-10)19-7-4-2-6(3-5-7)8(12)17/h2-5H,1H3,(H2,12,17)(H2,13,14,15,16)
InChIKeyCKEAECIDNKAUDC-UHFFFAOYSA-N
XLogP0.35
TPSA126.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzamide?
The IUPAC name of 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzamide (CID 80881678) is 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzamide.
What is the SMILES notation for 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzamide?
The canonical SMILES for 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzamide is COc1nc(N)nc(Oc2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzamide?
The InChIKey is CKEAECIDNKAUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-18-10-14-9(13)15-11(16-10)19-7-4-2-6(3-5-7)8(12)17/h2-5H,1H3,(H2,12,17)(H2,13,14,15,16).
What are the key properties of 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzamide?
4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzamide has a molecular weight of 261.24 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzamide is sourced from PubChem (CID 80881678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).