4-(furan-2-ylmethylamino)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2-carbonitrile

C17H12F3N5O — CID 58039915

IUPAC4-(furan-2-ylmethylamino)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(Cc2cccc(C(F)(F)F)c2)nc(NCc2ccco2)n1
InChIInChI=1S/C17H12F3N5O/c18-17(19,20)12-4-1-3-11(7-12)8-14-23-15(9-21)25-16(24-14)22-10-13-5-2-6-26-13/h1-7H,8,10H2,(H,22,23,24,25)
InChIKeyLRCFSKAOODAJGO-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.56
Rot. Bonds5

About 4-(furan-2-ylmethylamino)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2-carbonitrile

4-(furan-2-ylmethylamino)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2-carbonitrile (PubChem CID 58039915) has the molecular formula C17H12F3N5O and a molecular weight of 359.31 g/mol. Its IUPAC name is 4-(furan-2-ylmethylamino)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-(furan-2-ylmethylamino)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2-carbonitrile
PubChem CID58039915
Molecular FormulaC17H12F3N5O
Molecular Weight359.31 g/mol
Exact Mass359.10
IUPAC Name4-(furan-2-ylmethylamino)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(Cc2cccc(C(F)(F)F)c2)nc(NCc2ccco2)n1
InChIInChI=1S/C17H12F3N5O/c18-17(19,20)12-4-1-3-11(7-12)8-14-23-15(9-21)25-16(24-14)22-10-13-5-2-6-26-13/h1-7H,8,10H2,(H,22,23,24,25)
InChIKeyLRCFSKAOODAJGO-UHFFFAOYSA-N
XLogP3.56
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58039942
4-[(dimethylamino)methyl]-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58039788
6-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidine-4-carbonitrile
CID 107543356
3-N-(furan-2-ylmethyl)-5-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112947460
[1-(furan-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105235150
[2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine
CID 14685626
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66478739
N-[3-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline
CID 83960475
4-[[3-(trifluoromethyl)phenyl]methyl]benzonitrile
CID 162534916
5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole
CID 102618418
4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 66316212

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylamino)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-(furan-2-ylmethylamino)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2-carbonitrile (CID 58039915) is 4-(furan-2-ylmethylamino)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-(furan-2-ylmethylamino)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-(furan-2-ylmethylamino)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2-carbonitrile is N#Cc1nc(Cc2cccc(C(F)(F)F)c2)nc(NCc2ccco2)n1.
What is the InChIKey of 4-(furan-2-ylmethylamino)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2-carbonitrile?
The InChIKey is LRCFSKAOODAJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O/c18-17(19,20)12-4-1-3-11(7-12)8-14-23-15(9-21)25-16(24-14)22-10-13-5-2-6-26-13/h1-7H,8,10H2,(H,22,23,24,25).
What are the key properties of 4-(furan-2-ylmethylamino)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2-carbonitrile?
4-(furan-2-ylmethylamino)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2-carbonitrile has a molecular weight of 359.31 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylamino)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 58039915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).