(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propanamide

C8H9F3N4O2 — CID 175890236

IUPAC(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propanamide
SMILESC[C@H](Nc1cn[nH]c(=O)c1C(F)(F)F)C(N)=O
InChIInChI=1S/C8H9F3N4O2/c1-3(6(12)16)14-4-2-13-15-7(17)5(4)8(9,10)11/h2-3H,1H3,(H2,12,16)(H2,14,15,17)/t3-/m0/s1
InChIKeyGKSBHBNCFACZNR-VKHMYHEASA-N
MW250.18 g/mol
LogP0.07
Rot. Bonds3

About (2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propanamide

(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propanamide (PubChem CID 175890236) has the molecular formula C8H9F3N4O2 and a molecular weight of 250.18 g/mol. Its IUPAC name is (2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propanamide
PubChem CID175890236
Molecular FormulaC8H9F3N4O2
Molecular Weight250.18 g/mol
Exact Mass250.07
IUPAC Name(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propanamide
SMILESC[C@H](Nc1cn[nH]c(=O)c1C(F)(F)F)C(N)=O
InChIInChI=1S/C8H9F3N4O2/c1-3(6(12)16)14-4-2-13-15-7(17)5(4)8(9,10)11/h2-3H,1H3,(H2,12,16)(H2,14,15,17)/t3-/m0/s1
InChIKeyGKSBHBNCFACZNR-VKHMYHEASA-N
XLogP0.07
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 153358148
4-[[(2S)-1-methoxypropan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 156733455
4-(1-iminopropan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 168150438
4-(cyclopropylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 169592949
4-[[(2S)-pentan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 169596654
(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]butanal
CID 171058196
1-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]azetidine-2-carboxamide
CID 172185624
(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propanal
CID 172187903
2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propanal
CID 175401693
4-[1-(ethylideneamino)oxypropan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 175401778
4-(1-aminopropan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 175556723
2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propanamide
CID 175753960

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propanamide?
The IUPAC name of (2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propanamide (CID 175890236) is (2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propanamide.
What is the SMILES notation for (2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propanamide?
The canonical SMILES for (2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propanamide is C[C@H](Nc1cn[nH]c(=O)c1C(F)(F)F)C(N)=O.
What is the InChIKey of (2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propanamide?
The InChIKey is GKSBHBNCFACZNR-VKHMYHEASA-N. The full InChI is InChI=1S/C8H9F3N4O2/c1-3(6(12)16)14-4-2-13-15-7(17)5(4)8(9,10)11/h2-3H,1H3,(H2,12,16)(H2,14,15,17)/t3-/m0/s1.
What are the key properties of (2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propanamide?
(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propanamide has a molecular weight of 250.18 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propanamide is sourced from PubChem (CID 175890236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).