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

C15H16F2N4O — CID 163312374

IUPAC(5R)-3-(3,4-difluorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCCCN1Cc2nnc(-c3ccc(F)c(F)c3)n2[C@H](C)C1=O
InChIInChI=1S/C15H16F2N4O/c1-3-6-20-8-13-18-19-14(21(13)9(2)15(20)22)10-4-5-11(16)12(17)7-10/h4-5,7,9H,3,6,8H2,1-2H3/t9-/m1/s1
InChIKeyRJSOVECUKSWQJC-SECBINFHSA-N
MW306.32 g/mol
LogP2.54
Rot. Bonds3

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

(5R)-3-(3,4-difluorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (PubChem CID 163312374) has the molecular formula C15H16F2N4O and a molecular weight of 306.32 g/mol. Its IUPAC name is (5R)-3-(3,4-difluorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.

Molecular Properties

Compound Name(5R)-3-(3,4-difluorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
PubChem CID163312374
Molecular FormulaC15H16F2N4O
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name(5R)-3-(3,4-difluorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCCCN1Cc2nnc(-c3ccc(F)c(F)c3)n2[C@H](C)C1=O
InChIInChI=1S/C15H16F2N4O/c1-3-6-20-8-13-18-19-14(21(13)9(2)15(20)22)10-4-5-11(16)12(17)7-10/h4-5,7,9H,3,6,8H2,1-2H3/t9-/m1/s1
InChIKeyRJSOVECUKSWQJC-SECBINFHSA-N
XLogP2.54
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3,4-difluorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The IUPAC name of (5R)-3-(3,4-difluorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (CID 163312374) is (5R)-3-(3,4-difluorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.
What is the SMILES notation for (5R)-3-(3,4-difluorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The canonical SMILES for (5R)-3-(3,4-difluorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is CCCN1Cc2nnc(-c3ccc(F)c(F)c3)n2[C@H](C)C1=O.
What is the InChIKey of (5R)-3-(3,4-difluorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The InChIKey is RJSOVECUKSWQJC-SECBINFHSA-N. The full InChI is InChI=1S/C15H16F2N4O/c1-3-6-20-8-13-18-19-14(21(13)9(2)15(20)22)10-4-5-11(16)12(17)7-10/h4-5,7,9H,3,6,8H2,1-2H3/t9-/m1/s1.
What are the key properties of (5R)-3-(3,4-difluorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
(5R)-3-(3,4-difluorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one has a molecular weight of 306.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3,4-difluorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is sourced from PubChem (CID 163312374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).