[1-[(1R,2S)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]triazol-4-yl]methanol

C15H19F3N6O — CID 164636675

IUPAC[1-[(1R,2S)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]triazol-4-yl]methanol
SMILESCc1cc(C(F)(F)F)nc(N[C@H]2CCCC[C@H]2n2cc(CO)nn2)n1
InChIInChI=1S/C15H19F3N6O/c1-9-6-13(15(16,17)18)21-14(19-9)20-11-4-2-3-5-12(11)24-7-10(8-25)22-23-24/h6-7,11-12,25H,2-5,8H2,1H3,(H,19,20,21)/t11-,12+/m0/s1
InChIKeyQWIOPVIVELHZTQ-NWDGAFQWSA-N
MW356.35 g/mol
LogP2.48
Rot. Bonds4

About [1-[(1R,2S)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]triazol-4-yl]methanol

[1-[(1R,2S)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]triazol-4-yl]methanol (PubChem CID 164636675) has the molecular formula C15H19F3N6O and a molecular weight of 356.35 g/mol. Its IUPAC name is [1-[(1R,2S)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(1R,2S)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]triazol-4-yl]methanol
PubChem CID164636675
Molecular FormulaC15H19F3N6O
Molecular Weight356.35 g/mol
Exact Mass356.16
IUPAC Name[1-[(1R,2S)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]triazol-4-yl]methanol
SMILESCc1cc(C(F)(F)F)nc(N[C@H]2CCCC[C@H]2n2cc(CO)nn2)n1
InChIInChI=1S/C15H19F3N6O/c1-9-6-13(15(16,17)18)21-14(19-9)20-11-4-2-3-5-12(11)24-7-10(8-25)22-23-24/h6-7,11-12,25H,2-5,8H2,1H3,(H,19,20,21)/t11-,12+/m0/s1
InChIKeyQWIOPVIVELHZTQ-NWDGAFQWSA-N
XLogP2.48
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[(1R,2S)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(1R,2S)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]triazol-4-yl]methanol (CID 164636675) is [1-[(1R,2S)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(1R,2S)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(1R,2S)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]triazol-4-yl]methanol is Cc1cc(C(F)(F)F)nc(N[C@H]2CCCC[C@H]2n2cc(CO)nn2)n1.
What is the InChIKey of [1-[(1R,2S)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]triazol-4-yl]methanol?
The InChIKey is QWIOPVIVELHZTQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H19F3N6O/c1-9-6-13(15(16,17)18)21-14(19-9)20-11-4-2-3-5-12(11)24-7-10(8-25)22-23-24/h6-7,11-12,25H,2-5,8H2,1H3,(H,19,20,21)/t11-,12+/m0/s1.
What are the key properties of [1-[(1R,2S)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]triazol-4-yl]methanol?
[1-[(1R,2S)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]triazol-4-yl]methanol has a molecular weight of 356.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1R,2S)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]triazol-4-yl]methanol is sourced from PubChem (CID 164636675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).