7-(cyclohexylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C19H23F3N4O — CID 134788571

IUPAC7-(cyclohexylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(-c2ccc(C(F)(F)F)cc2)nc2n1CCN(CC1CCCCC1)C2
InChIInChI=1S/C19H23F3N4O/c20-19(21,22)15-6-8-16(9-7-15)26-18(27)25-11-10-24(13-17(25)23-26)12-14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2
InChIKeyJXZJEVPFASWLPI-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.45
Rot. Bonds3

About 7-(cyclohexylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

7-(cyclohexylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 134788571) has the molecular formula C19H23F3N4O and a molecular weight of 380.41 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID134788571
Molecular FormulaC19H23F3N4O
Molecular Weight380.41 g/mol
Exact Mass380.18
IUPAC Name7-(cyclohexylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(-c2ccc(C(F)(F)F)cc2)nc2n1CCN(CC1CCCCC1)C2
InChIInChI=1S/C19H23F3N4O/c20-19(21,22)15-6-8-16(9-7-15)26-18(27)25-11-10-24(13-17(25)23-26)12-14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2
InChIKeyJXZJEVPFASWLPI-UHFFFAOYSA-N
XLogP3.45
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-(cyclohexylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 134788571) is 7-(cyclohexylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-(cyclohexylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-(cyclohexylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1n(-c2ccc(C(F)(F)F)cc2)nc2n1CCN(CC1CCCCC1)C2.
What is the InChIKey of 7-(cyclohexylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is JXZJEVPFASWLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O/c20-19(21,22)15-6-8-16(9-7-15)26-18(27)25-11-10-24(13-17(25)23-26)12-14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2.
What are the key properties of 7-(cyclohexylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-(cyclohexylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 380.41 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 134788571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).