(2R)-2-[(3-chloro-1,2,4-triazin-5-yl)amino]-6,6,6-trifluorohexan-3-one

C9H10ClF3N4O — CID 161454950

IUPAC(2R)-2-[(3-chloro-1,2,4-triazin-5-yl)amino]-6,6,6-trifluorohexan-3-one
SMILESC[C@@H](Nc1cnnc(Cl)n1)C(=O)CCC(F)(F)F
InChIInChI=1S/C9H10ClF3N4O/c1-5(6(18)2-3-9(11,12)13)15-7-4-14-17-8(10)16-7/h4-5H,2-3H2,1H3,(H,15,16,17)/t5-/m1/s1
InChIKeyWBALJFUAYNQIFG-RXMQYKEDSA-N
MW282.65 g/mol
LogP2.24
Rot. Bonds5

About (2R)-2-[(3-chloro-1,2,4-triazin-5-yl)amino]-6,6,6-trifluorohexan-3-one

(2R)-2-[(3-chloro-1,2,4-triazin-5-yl)amino]-6,6,6-trifluorohexan-3-one (PubChem CID 161454950) has the molecular formula C9H10ClF3N4O and a molecular weight of 282.65 g/mol. Its IUPAC name is (2R)-2-[(3-chloro-1,2,4-triazin-5-yl)amino]-6,6,6-trifluorohexan-3-one.

Molecular Properties

Compound Name(2R)-2-[(3-chloro-1,2,4-triazin-5-yl)amino]-6,6,6-trifluorohexan-3-one
PubChem CID161454950
Molecular FormulaC9H10ClF3N4O
Molecular Weight282.65 g/mol
Exact Mass282.05
IUPAC Name(2R)-2-[(3-chloro-1,2,4-triazin-5-yl)amino]-6,6,6-trifluorohexan-3-one
SMILESC[C@@H](Nc1cnnc(Cl)n1)C(=O)CCC(F)(F)F
InChIInChI=1S/C9H10ClF3N4O/c1-5(6(18)2-3-9(11,12)13)15-7-4-14-17-8(10)16-7/h4-5H,2-3H2,1H3,(H,15,16,17)/t5-/m1/s1
InChIKeyWBALJFUAYNQIFG-RXMQYKEDSA-N
XLogP2.24
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(3-chloro-1,2,4-triazin-5-yl)amino]-6,6,6-trifluorohexan-3-one with MolForge

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Related Compounds

methyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]-3-methylbutanoate
CID 114999989
3-chloro-N-pentan-3-yl-1,2,4-triazin-5-amine
CID 114999367
1-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-2-ol
CID 82237449
(2R)-6,6,6-trifluoro-2-[[6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]hexan-3-one
CID 158903791
methyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]acetate
CID 114999415
3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine
CID 82239276
1-(2,4-dichloropyrimidin-5-yl)-4,4,4-trifluorobutan-1-one
CID 161476280
6,6,6-trifluoro-2-hydroxyhexan-3-one
CID 103451387
(2S)-2-[(2-chloro-6-phenylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 89284882
2-[(2-chloropyrimidin-4-yl)amino]propanamide
CID 62343252
3-chloro-N-[1-(oxolan-2-yl)ethyl]-1,2,4-triazin-5-amine
CID 82237452
N-(6-chloro-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 115683234

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-chloro-1,2,4-triazin-5-yl)amino]-6,6,6-trifluorohexan-3-one?
The IUPAC name of (2R)-2-[(3-chloro-1,2,4-triazin-5-yl)amino]-6,6,6-trifluorohexan-3-one (CID 161454950) is (2R)-2-[(3-chloro-1,2,4-triazin-5-yl)amino]-6,6,6-trifluorohexan-3-one.
What is the SMILES notation for (2R)-2-[(3-chloro-1,2,4-triazin-5-yl)amino]-6,6,6-trifluorohexan-3-one?
The canonical SMILES for (2R)-2-[(3-chloro-1,2,4-triazin-5-yl)amino]-6,6,6-trifluorohexan-3-one is C[C@@H](Nc1cnnc(Cl)n1)C(=O)CCC(F)(F)F.
What is the InChIKey of (2R)-2-[(3-chloro-1,2,4-triazin-5-yl)amino]-6,6,6-trifluorohexan-3-one?
The InChIKey is WBALJFUAYNQIFG-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H10ClF3N4O/c1-5(6(18)2-3-9(11,12)13)15-7-4-14-17-8(10)16-7/h4-5H,2-3H2,1H3,(H,15,16,17)/t5-/m1/s1.
What are the key properties of (2R)-2-[(3-chloro-1,2,4-triazin-5-yl)amino]-6,6,6-trifluorohexan-3-one?
(2R)-2-[(3-chloro-1,2,4-triazin-5-yl)amino]-6,6,6-trifluorohexan-3-one has a molecular weight of 282.65 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-chloro-1,2,4-triazin-5-yl)amino]-6,6,6-trifluorohexan-3-one is sourced from PubChem (CID 161454950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).