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

C16H17F3N4O — CID 163310547

IUPAC(5R)-5-methyl-7-propyl-3-[4-(trifluoromethyl)phenyl]-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCCCN1Cc2nnc(-c3ccc(C(F)(F)F)cc3)n2[C@H](C)C1=O
InChIInChI=1S/C16H17F3N4O/c1-3-8-22-9-13-20-21-14(23(13)10(2)15(22)24)11-4-6-12(7-5-11)16(17,18)19/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
InChIKeyRSVSWYSHXFHKPJ-SNVBAGLBSA-N
MW338.33 g/mol
LogP3.28
Rot. Bonds3

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

(5R)-5-methyl-7-propyl-3-[4-(trifluoromethyl)phenyl]-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (PubChem CID 163310547) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is (5R)-5-methyl-7-propyl-3-[4-(trifluoromethyl)phenyl]-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.

Molecular Properties

Compound Name(5R)-5-methyl-7-propyl-3-[4-(trifluoromethyl)phenyl]-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
PubChem CID163310547
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name(5R)-5-methyl-7-propyl-3-[4-(trifluoromethyl)phenyl]-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCCCN1Cc2nnc(-c3ccc(C(F)(F)F)cc3)n2[C@H](C)C1=O
InChIInChI=1S/C16H17F3N4O/c1-3-8-22-9-13-20-21-14(23(13)10(2)15(22)24)11-4-6-12(7-5-11)16(17,18)19/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
InChIKeyRSVSWYSHXFHKPJ-SNVBAGLBSA-N
XLogP3.28
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-7-propyl-3-[4-(trifluoromethyl)phenyl]-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The IUPAC name of (5R)-5-methyl-7-propyl-3-[4-(trifluoromethyl)phenyl]-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (CID 163310547) is (5R)-5-methyl-7-propyl-3-[4-(trifluoromethyl)phenyl]-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.
What is the SMILES notation for (5R)-5-methyl-7-propyl-3-[4-(trifluoromethyl)phenyl]-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The canonical SMILES for (5R)-5-methyl-7-propyl-3-[4-(trifluoromethyl)phenyl]-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is CCCN1Cc2nnc(-c3ccc(C(F)(F)F)cc3)n2[C@H](C)C1=O.
What is the InChIKey of (5R)-5-methyl-7-propyl-3-[4-(trifluoromethyl)phenyl]-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The InChIKey is RSVSWYSHXFHKPJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-3-8-22-9-13-20-21-14(23(13)10(2)15(22)24)11-4-6-12(7-5-11)16(17,18)19/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (5R)-5-methyl-7-propyl-3-[4-(trifluoromethyl)phenyl]-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
(5R)-5-methyl-7-propyl-3-[4-(trifluoromethyl)phenyl]-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one has a molecular weight of 338.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-7-propyl-3-[4-(trifluoromethyl)phenyl]-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is sourced from PubChem (CID 163310547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).