1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyrrolidin-1-ylbutane-1,4-dione

C15H20F3N5O2 — CID 91956898

IUPAC1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyrrolidin-1-ylbutane-1,4-dione
SMILESCC1c2nnc(C(F)(F)F)n2CCN1C(=O)CCC(=O)N1CCCC1
InChIInChI=1S/C15H20F3N5O2/c1-10-13-19-20-14(15(16,17)18)23(13)9-8-22(10)12(25)5-4-11(24)21-6-2-3-7-21/h10H,2-9H2,1H3
InChIKeyRGTWPZWQFPADCH-UHFFFAOYSA-N
MW359.35 g/mol
LogP1.60
Rot. Bonds3

About 1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyrrolidin-1-ylbutane-1,4-dione

1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyrrolidin-1-ylbutane-1,4-dione (PubChem CID 91956898) has the molecular formula C15H20F3N5O2 and a molecular weight of 359.35 g/mol. Its IUPAC name is 1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyrrolidin-1-ylbutane-1,4-dione.

Molecular Properties

Compound Name1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyrrolidin-1-ylbutane-1,4-dione
PubChem CID91956898
Molecular FormulaC15H20F3N5O2
Molecular Weight359.35 g/mol
Exact Mass359.16
IUPAC Name1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyrrolidin-1-ylbutane-1,4-dione
SMILESCC1c2nnc(C(F)(F)F)n2CCN1C(=O)CCC(=O)N1CCCC1
InChIInChI=1S/C15H20F3N5O2/c1-10-13-19-20-14(15(16,17)18)23(13)9-8-22(10)12(25)5-4-11(24)21-6-2-3-7-21/h10H,2-9H2,1H3
InChIKeyRGTWPZWQFPADCH-UHFFFAOYSA-N
XLogP1.60
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyrrolidin-1-ylbutane-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyrrolidine-2,5-dione
CID 91956997
[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyrazin-2-ylmethanone
CID 91957043
(3R)-3-amino-1-[(8S)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 24777692
[2-(diethylamino)-6-methylpyrimidin-4-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91956947
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
CID 10150823
(3R)-3-amino-1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;2,2,2-trifluoroacetic acid
CID 172867652
[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 91956917
[4-(4-methylphenyl)oxan-4-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91956985
2,3,4a,8a-tetrahydro-1,4-benzodioxin-3-yl-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91956916
[5-(4-methylphenoxy)furan-2-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91956984
7-(2-methoxyethylsulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 91956972
[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91956845

Frequently Asked Questions

What is the IUPAC name of 1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyrrolidin-1-ylbutane-1,4-dione?
The IUPAC name of 1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyrrolidin-1-ylbutane-1,4-dione (CID 91956898) is 1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyrrolidin-1-ylbutane-1,4-dione.
What is the SMILES notation for 1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyrrolidin-1-ylbutane-1,4-dione?
The canonical SMILES for 1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyrrolidin-1-ylbutane-1,4-dione is CC1c2nnc(C(F)(F)F)n2CCN1C(=O)CCC(=O)N1CCCC1.
What is the InChIKey of 1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyrrolidin-1-ylbutane-1,4-dione?
The InChIKey is RGTWPZWQFPADCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O2/c1-10-13-19-20-14(15(16,17)18)23(13)9-8-22(10)12(25)5-4-11(24)21-6-2-3-7-21/h10H,2-9H2,1H3.
What are the key properties of 1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyrrolidin-1-ylbutane-1,4-dione?
1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyrrolidin-1-ylbutane-1,4-dione has a molecular weight of 359.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyrrolidin-1-ylbutane-1,4-dione is sourced from PubChem (CID 91956898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).