2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-7-[5-(trifluoromethyl)pyrimidin-2-yl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one

C19H17F6N9O3 — CID 171579124

IUPAC2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-7-[5-(trifluoromethyl)pyrimidin-2-yl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one
SMILESC[C@@H](COCc1nc2n(n1)CCN(c1ncc(C(F)(F)F)cn1)C2=O)Nc1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C19H17F6N9O3/c1-9(29-11-6-28-31-15(35)13(11)19(23,24)25)7-37-8-12-30-14-16(36)33(2-3-34(14)32-12)17-26-4-10(5-27-17)18(20,21)22/h4-6,9H,2-3,7-8H2,1H3,(H2,29,31,35)/t9-/m0/s1
InChIKeyMFKYRYJQUCSVIQ-VIFPVBQESA-N
MW533.39 g/mol
LogP1.87
Rot. Bonds7

About 2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-7-[5-(trifluoromethyl)pyrimidin-2-yl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one

2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-7-[5-(trifluoromethyl)pyrimidin-2-yl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one (PubChem CID 171579124) has the molecular formula C19H17F6N9O3 and a molecular weight of 533.39 g/mol. Its IUPAC name is 2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-7-[5-(trifluoromethyl)pyrimidin-2-yl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-7-[5-(trifluoromethyl)pyrimidin-2-yl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one
PubChem CID171579124
Molecular FormulaC19H17F6N9O3
Molecular Weight533.39 g/mol
Exact Mass533.14
IUPAC Name2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-7-[5-(trifluoromethyl)pyrimidin-2-yl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one
SMILESC[C@@H](COCc1nc2n(n1)CCN(c1ncc(C(F)(F)F)cn1)C2=O)Nc1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C19H17F6N9O3/c1-9(29-11-6-28-31-15(35)13(11)19(23,24)25)7-37-8-12-30-14-16(36)33(2-3-34(14)32-12)17-26-4-10(5-27-17)18(20,21)22/h4-6,9H,2-3,7-8H2,1H3,(H2,29,31,35)/t9-/m0/s1
InChIKeyMFKYRYJQUCSVIQ-VIFPVBQESA-N
XLogP1.87
TPSA143.81 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-7-[5-(trifluoromethyl)pyrimidin-2-yl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one 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

5-(trifluoromethyl)-4-[[(2S)-1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-yl]amino]-1H-pyridazin-6-one
CID 166132288
4-[1-[[5-[5-(1,1-difluoroethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 174233070
4-[[(2S)-1-[4-oxo-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 146219283
4-[[(2S)-1-[(2R)-2-amino-4-oxo-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 146219590
5-(trifluoromethyl)-4-[1-[6-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-4-yl]oxypropan-2-ylamino]-1H-pyridazin-6-one
CID 175531236
4-[1-[2-fluoro-3-[2-oxo-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]phenoxy]propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 175531195
4-[1-[3-[(3aS,6aS)-1-[5-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-3-oxopropoxy]propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 146219210
4-[[(2S)-1-[2-[4-(5-tert-butylpyrimidin-2-yl)piperazin-1-yl]sulfanylethoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 153358181
N-[2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
CID 170168767
4-[1-[[3-fluoro-2-[2-oxo-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-4-pyridinyl]oxy]propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 175531102
4-[[(2S)-1-[(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 166132304
4-[[(2S)-1-[3-[4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]piperazin-1-yl]-3-oxopropoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 146231707

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-7-[5-(trifluoromethyl)pyrimidin-2-yl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one?
The IUPAC name of 2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-7-[5-(trifluoromethyl)pyrimidin-2-yl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one (CID 171579124) is 2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-7-[5-(trifluoromethyl)pyrimidin-2-yl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-7-[5-(trifluoromethyl)pyrimidin-2-yl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one?
The canonical SMILES for 2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-7-[5-(trifluoromethyl)pyrimidin-2-yl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one is C[C@@H](COCc1nc2n(n1)CCN(c1ncc(C(F)(F)F)cn1)C2=O)Nc1cn[nH]c(=O)c1C(F)(F)F.
What is the InChIKey of 2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-7-[5-(trifluoromethyl)pyrimidin-2-yl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one?
The InChIKey is MFKYRYJQUCSVIQ-VIFPVBQESA-N. The full InChI is InChI=1S/C19H17F6N9O3/c1-9(29-11-6-28-31-15(35)13(11)19(23,24)25)7-37-8-12-30-14-16(36)33(2-3-34(14)32-12)17-26-4-10(5-27-17)18(20,21)22/h4-6,9H,2-3,7-8H2,1H3,(H2,29,31,35)/t9-/m0/s1.
What are the key properties of 2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-7-[5-(trifluoromethyl)pyrimidin-2-yl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one?
2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-7-[5-(trifluoromethyl)pyrimidin-2-yl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one has a molecular weight of 533.39 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-7-[5-(trifluoromethyl)pyrimidin-2-yl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 171579124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).