4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one

C8H10F3N3O2 — CID 167173452

IUPAC4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESC[C@H](CO)Nc1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c1-4(3-15)13-5-2-12-14-7(16)6(5)8(9,10)11/h2,4,15H,3H2,1H3,(H2,13,14,16)/t4-/m1/s1
InChIKeyGJYSYXDOWSXZPP-SCSAIBSYSA-N
MW237.18 g/mol
LogP0.58
Rot. Bonds3

About 4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one

4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 167173452) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID167173452
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESC[C@H](CO)Nc1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c1-4(3-15)13-5-2-12-14-7(16)6(5)8(9,10)11/h2,4,15H,3H2,1H3,(H2,13,14,16)/t4-/m1/s1
InChIKeyGJYSYXDOWSXZPP-SCSAIBSYSA-N
XLogP0.58
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(dichloromethoxy)propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 175845860
methyl 3-[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]propanoate
CID 146219517
6-chloro-2-oxo-1-[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propyl]pyridine-3-carboxylic acid
CID 167472161
3-[(2R,3S)-3-hydroxy-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]butoxy]propanoic acid
CID 146218813
5-chloro-4-(4-hydroxybutan-2-ylamino)-1H-pyridazin-6-one
CID 79003426
4-[1-[3-(piperazine-1-carbonyl)pyrrol-1-yl]propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 175839669
2-[(5-nitro-1H-pyrazol-4-yl)amino]propan-1-ol
CID 82238092
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-[[(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
5-(trifluoromethyl)-4-[[(2S)-1-[(3S)-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-1-yl]propan-2-yl]amino]-1H-pyridazin-6-one
CID 167472140
4-[1-[2-oxo-3-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]imidazol-1-yl]propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 175531234
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 4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 167173452) is 4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one is C[C@H](CO)Nc1cn[nH]c(=O)c1C(F)(F)F.
What is the InChIKey of 4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is GJYSYXDOWSXZPP-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-4(3-15)13-5-2-12-14-7(16)6(5)8(9,10)11/h2,4,15H,3H2,1H3,(H2,13,14,16)/t4-/m1/s1.
What are the key properties of 4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one?
4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 237.18 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 167173452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).