3-fluoro-5-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]benzonitrile

C12H10FN5O — CID 66423329

IUPAC3-fluoro-5-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]benzonitrile
SMILESCNc1nc(OC)nc(-c2cc(F)cc(C#N)c2)n1
InChIInChI=1S/C12H10FN5O/c1-15-11-16-10(17-12(18-11)19-2)8-3-7(6-14)4-9(13)5-8/h3-5H,1-2H3,(H,15,16,17,18)
InChIKeyYRHDVAMRJYFGII-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.60
Rot. Bonds3

About 3-fluoro-5-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]benzonitrile

3-fluoro-5-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]benzonitrile (PubChem CID 66423329) has the molecular formula C12H10FN5O and a molecular weight of 259.24 g/mol. Its IUPAC name is 3-fluoro-5-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]benzonitrile
PubChem CID66423329
Molecular FormulaC12H10FN5O
Molecular Weight259.24 g/mol
Exact Mass259.09
IUPAC Name3-fluoro-5-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]benzonitrile
SMILESCNc1nc(OC)nc(-c2cc(F)cc(C#N)c2)n1
InChIInChI=1S/C12H10FN5O/c1-15-11-16-10(17-12(18-11)19-2)8-3-7(6-14)4-9(13)5-8/h3-5H,1-2H3,(H,15,16,17,18)
InChIKeyYRHDVAMRJYFGII-UHFFFAOYSA-N
XLogP1.60
TPSA83.72 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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-5-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-5-(4-methoxy-6-oxo-1H-1,3,5-triazin-2-yl)benzonitrile
CID 106518769
3-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-5-fluorobenzonitrile
CID 66425508
2-N-(3,5-difluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80762233
5-[4,6-bis(3,5-dicyanophenyl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile
CID 102441956
4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]benzonitrile
CID 80823877
2-N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 83081294
3-(4-aminopyrimidin-2-yl)-5-fluorobenzonitrile
CID 116795274
3-fluoro-5-[4-(methylamino)-1,2,5-thiadiazol-3-yl]benzonitrile
CID 66423122
4-[4-(3-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-yl]benzonitrile
CID 155530404
5-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyridine-3-carbonitrile
CID 114563422
3-[3-fluoro-5-(trifluoromethyl)phenyl]-5-methoxybenzonitrile
CID 122475979
3-(2,4-dimethoxyphenyl)-5-fluorobenzonitrile
CID 172990799

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]benzonitrile?
The IUPAC name of 3-fluoro-5-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]benzonitrile (CID 66423329) is 3-fluoro-5-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]benzonitrile.
What is the SMILES notation for 3-fluoro-5-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]benzonitrile?
The canonical SMILES for 3-fluoro-5-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]benzonitrile is CNc1nc(OC)nc(-c2cc(F)cc(C#N)c2)n1.
What is the InChIKey of 3-fluoro-5-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]benzonitrile?
The InChIKey is YRHDVAMRJYFGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O/c1-15-11-16-10(17-12(18-11)19-2)8-3-7(6-14)4-9(13)5-8/h3-5H,1-2H3,(H,15,16,17,18).
What are the key properties of 3-fluoro-5-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]benzonitrile?
3-fluoro-5-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]benzonitrile has a molecular weight of 259.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]benzonitrile is sourced from PubChem (CID 66423329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).