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

C16H22F3N5O3 — CID 91956974

IUPAC1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-morpholin-4-ylpentane-1,5-dione
SMILESCC1c2nnc(C(F)(F)F)n2CCN1C(=O)CCCC(=O)N1CCOCC1
InChIInChI=1S/C16H22F3N5O3/c1-11-14-20-21-15(16(17,18)19)24(14)6-5-23(11)13(26)4-2-3-12(25)22-7-9-27-10-8-22/h11H,2-10H2,1H3
InChIKeyHJVMIWXYSZTMFG-UHFFFAOYSA-N
MW389.38 g/mol
LogP1.23
Rot. Bonds4

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

1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-morpholin-4-ylpentane-1,5-dione (PubChem CID 91956974) has the molecular formula C16H22F3N5O3 and a molecular weight of 389.38 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]-5-morpholin-4-ylpentane-1,5-dione.

Molecular Properties

Compound Name1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-morpholin-4-ylpentane-1,5-dione
PubChem CID91956974
Molecular FormulaC16H22F3N5O3
Molecular Weight389.38 g/mol
Exact Mass389.17
IUPAC Name1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-morpholin-4-ylpentane-1,5-dione
SMILESCC1c2nnc(C(F)(F)F)n2CCN1C(=O)CCCC(=O)N1CCOCC1
InChIInChI=1S/C16H22F3N5O3/c1-11-14-20-21-15(16(17,18)19)24(14)6-5-23(11)13(26)4-2-3-12(25)22-7-9-27-10-8-22/h11H,2-10H2,1H3
InChIKeyHJVMIWXYSZTMFG-UHFFFAOYSA-N
XLogP1.23
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[[2-(Methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpiperidin-2-one
CID 71851287
4-({4-methyl-5-[1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70731225
4-({4-methyl-5-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 72862320
1-piperidin-1-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentane-1,5-dione
CID 91956749
1-morpholin-4-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentane-1,5-dione
CID 91956750
1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]ethanone
CID 91956941
1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-piperidin-1-ylpentane-1,5-dione
CID 91956973
1-(azepan-1-yl)-2-[2-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethoxy]ethanone
CID 91957000
3,3,3-trifluoro-1-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one
CID 95868548
3,3,3-trifluoro-1-[(3S)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one
CID 95868549
1-[3-[1-(2,2,2-Trifluoroethyl)-1,2,4-triazol-3-yl]morpholin-4-yl]pentan-1-one
CID 119053076
[(2S,4R)-4-fluoro-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120963351

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]-5-morpholin-4-ylpentane-1,5-dione?
The IUPAC name of 1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-morpholin-4-ylpentane-1,5-dione (CID 91956974) is 1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-morpholin-4-ylpentane-1,5-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]-5-morpholin-4-ylpentane-1,5-dione?
The canonical SMILES for 1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-morpholin-4-ylpentane-1,5-dione is CC1c2nnc(C(F)(F)F)n2CCN1C(=O)CCCC(=O)N1CCOCC1.
What is the InChIKey of 1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-morpholin-4-ylpentane-1,5-dione?
The InChIKey is HJVMIWXYSZTMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5O3/c1-11-14-20-21-15(16(17,18)19)24(14)6-5-23(11)13(26)4-2-3-12(25)22-7-9-27-10-8-22/h11H,2-10H2,1H3.
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]-5-morpholin-4-ylpentane-1,5-dione?
1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-morpholin-4-ylpentane-1,5-dione has a molecular weight of 389.38 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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]-5-morpholin-4-ylpentane-1,5-dione is sourced from PubChem (CID 91956974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).