4-(cyclopentylamino)-6-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one

C15H15F3N4O — CID 155814625

IUPAC4-(cyclopentylamino)-6-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one
SMILESO=c1nc(NC2CCCC2)nc(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)10-7-5-9(6-8-10)12-20-13(22-14(23)21-12)19-11-3-1-2-4-11/h5-8,11H,1-4H2,(H2,19,20,21,22,23)
InChIKeyAOIWOPGWAMDYMJ-UHFFFAOYSA-N
MW324.31 g/mol
LogP3.21
Rot. Bonds3

About 4-(cyclopentylamino)-6-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one

4-(cyclopentylamino)-6-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one (PubChem CID 155814625) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is 4-(cyclopentylamino)-6-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-(cyclopentylamino)-6-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one
PubChem CID155814625
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name4-(cyclopentylamino)-6-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one
SMILESO=c1nc(NC2CCCC2)nc(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)10-7-5-9(6-8-10)12-20-13(22-14(23)21-12)19-11-3-1-2-4-11/h5-8,11H,1-4H2,(H2,19,20,21,22,23)
InChIKeyAOIWOPGWAMDYMJ-UHFFFAOYSA-N
XLogP3.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(Trifluoromethyl)phenyl]-1-imidazoline
CID 11241345
5-Methyl-4-(octylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-one
CID 147330615
1-Benzyl-4-(cyclopentylamino)-5-methylpyrimidin-2-one
CID 155538095
2-[4-(Trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 101477526
(6S)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 134967152
1,3,5-Triazin-2(1H)-one, 3,4-dihydro-6-phenyl-4,4-bis(trifluoromethyl)-
CID 617947
6-[4-(Trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 20546271
5-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole
CID 21565152
2-[2-Fluoro-4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 71005943
N-[5-fluoro-1-[(4-methylphenyl)methyl]-2-oxopyrimidin-4-yl]-N'-methylmethanimidamide
CID 123446889
2-(4-fluorophenyl)-4-(propan-2-ylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one
CID 126740466
1-Propan-2-yl-3-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 139468143

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-6-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one?
The IUPAC name of 4-(cyclopentylamino)-6-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one (CID 155814625) is 4-(cyclopentylamino)-6-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 4-(cyclopentylamino)-6-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one?
The canonical SMILES for 4-(cyclopentylamino)-6-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one is O=c1nc(NC2CCCC2)nc(-c2ccc(C(F)(F)F)cc2)[nH]1.
What is the InChIKey of 4-(cyclopentylamino)-6-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one?
The InChIKey is AOIWOPGWAMDYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c16-15(17,18)10-7-5-9(6-8-10)12-20-13(22-14(23)21-12)19-11-3-1-2-4-11/h5-8,11H,1-4H2,(H2,19,20,21,22,23).
What are the key properties of 4-(cyclopentylamino)-6-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one?
4-(cyclopentylamino)-6-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one has a molecular weight of 324.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-6-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 155814625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).