3-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-5-fluorobenzonitrile

C12H10FN5O — CID 66425508

IUPAC3-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-5-fluorobenzonitrile
SMILESCCOc1nc(N)nc(-c2cc(F)cc(C#N)c2)n1
InChIInChI=1S/C12H10FN5O/c1-2-19-12-17-10(16-11(15)18-12)8-3-7(6-14)4-9(13)5-8/h3-5H,2H2,1H3,(H2,15,16,17,18)
InChIKeyIAZMGIYLRHLPNS-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.53
Rot. Bonds3

About 3-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-5-fluorobenzonitrile

3-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-5-fluorobenzonitrile (PubChem CID 66425508) has the molecular formula C12H10FN5O and a molecular weight of 259.24 g/mol. Its IUPAC name is 3-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-5-fluorobenzonitrile
PubChem CID66425508
Molecular FormulaC12H10FN5O
Molecular Weight259.24 g/mol
Exact Mass259.09
IUPAC Name3-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-5-fluorobenzonitrile
SMILESCCOc1nc(N)nc(-c2cc(F)cc(C#N)c2)n1
InChIInChI=1S/C12H10FN5O/c1-2-19-12-17-10(16-11(15)18-12)8-3-7(6-14)4-9(13)5-8/h3-5H,2H2,1H3,(H2,15,16,17,18)
InChIKeyIAZMGIYLRHLPNS-UHFFFAOYSA-N
XLogP1.53
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-5-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]benzonitrile
CID 66423329
3-(4-aminopyrimidin-2-yl)-5-fluorobenzonitrile
CID 116795274
5-[4,6-bis(3,5-dicyanophenyl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile
CID 102441956
3-(3-amino-5,6-dimethylpyrazin-2-yl)-5-fluorobenzonitrile
CID 66424519
6-ethoxy-2-N-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80855808
4-ethoxy-6-(3-fluoro-5-methylphenyl)-N-propyl-1,3,5-triazin-2-amine
CID 79691232
4-ethoxy-6-(3-methoxypyrazin-2-yl)-1,3,5-triazin-2-amine
CID 113421721
3-[[6-amino-2-ethoxy-8-(5-fluoro-3-pyridinyl)purin-9-yl]methyl]-4-fluorobenzonitrile
CID 138701038
4-(1-benzofuran-2-yl)-6-ethoxy-1,3,5-triazin-2-amine
CID 114734487
3-(6-amino-2-methyl-3-pyridinyl)-5-fluorobenzonitrile
CID 79048446
3-fluoro-5-(4-methoxy-6-oxo-1H-1,3,5-triazin-2-yl)benzonitrile
CID 106518769
4-(4-ethoxyphenyl)-6-(3-fluorophenyl)pyrimidin-2-amine
CID 75359861

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-5-fluorobenzonitrile?
The IUPAC name of 3-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-5-fluorobenzonitrile (CID 66425508) is 3-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-5-fluorobenzonitrile.
What is the SMILES notation for 3-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-5-fluorobenzonitrile?
The canonical SMILES for 3-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-5-fluorobenzonitrile is CCOc1nc(N)nc(-c2cc(F)cc(C#N)c2)n1.
What is the InChIKey of 3-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-5-fluorobenzonitrile?
The InChIKey is IAZMGIYLRHLPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O/c1-2-19-12-17-10(16-11(15)18-12)8-3-7(6-14)4-9(13)5-8/h3-5H,2H2,1H3,(H2,15,16,17,18).
What are the key properties of 3-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-5-fluorobenzonitrile?
3-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-5-fluorobenzonitrile has a molecular weight of 259.24 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-5-fluorobenzonitrile is sourced from PubChem (CID 66425508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).