(2S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol

C7H8ClF3N4O — CID 171763586

IUPAC(2S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCc1nc(NC[C@H](O)C(F)(F)F)nnc1Cl
InChIInChI=1S/C7H8ClF3N4O/c1-3-5(8)14-15-6(13-3)12-2-4(16)7(9,10)11/h4,16H,2H2,1H3,(H,12,13,15)/t4-/m0/s1
InChIKeyUFKAOGDTGRHGCK-BYPYZUCNSA-N
MW256.62 g/mol
LogP1.17
Rot. Bonds3

About (2S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol

(2S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 171763586) has the molecular formula C7H8ClF3N4O and a molecular weight of 256.62 g/mol. Its IUPAC name is (2S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID171763586
Molecular FormulaC7H8ClF3N4O
Molecular Weight256.62 g/mol
Exact Mass256.03
IUPAC Name(2S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCc1nc(NC[C@H](O)C(F)(F)F)nnc1Cl
InChIInChI=1S/C7H8ClF3N4O/c1-3-5(8)14-15-6(13-3)12-2-4(16)7(9,10)11/h4,16H,2H2,1H3,(H,12,13,15)/t4-/m0/s1
InChIKeyUFKAOGDTGRHGCK-BYPYZUCNSA-N
XLogP1.17
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.62
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

(2R)-1-[[5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol
CID 166099098
(2R)-1-[[6-bromo-5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol
CID 171763541
cis-(1S,6R)-6-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2,2-difluorocyclohexan-1-ol
CID 171763630
6-chloro-N-(2,2-difluoroethyl)-5-methyl-1,2,4-triazin-3-amine
CID 171763678
trans-(1R,2R)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-5,5-difluorocyclohexan-1-ol
CID 171763723
1-[[5-(Trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol
CID 174228286
3-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 104918969
3-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-1,1-difluoropropan-2-ol
CID 104924655
trans-(1R,2R)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol
CID 166099150
(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol
CID 166153016
cis-(1R,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol
CID 171763522
3-[(6-Chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropan-1-ol
CID 171763548

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol (CID 171763586) is (2S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol is Cc1nc(NC[C@H](O)C(F)(F)F)nnc1Cl.
What is the InChIKey of (2S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is UFKAOGDTGRHGCK-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H8ClF3N4O/c1-3-5(8)14-15-6(13-3)12-2-4(16)7(9,10)11/h4,16H,2H2,1H3,(H,12,13,15)/t4-/m0/s1.
What are the key properties of (2S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol?
(2S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 256.62 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 171763586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).