2-[3-[(3-hydroxycyclobutyl)amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)pyridin-3-ol

C14H14F3N5O2 — CID 170259368

IUPAC2-[3-[(3-hydroxycyclobutyl)amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)pyridin-3-ol
SMILESCc1nc(NC2CC(O)C2)nnc1-c1ncc(C(F)(F)F)cc1O
InChIInChI=1S/C14H14F3N5O2/c1-6-11(12-10(24)2-7(5-18-12)14(15,16)17)21-22-13(19-6)20-8-3-9(23)4-8/h2,5,8-9,23-24H,3-4H2,1H3,(H,19,20,22)
InChIKeyGYAJEJPIJBYYLR-UHFFFAOYSA-N
MW341.29 g/mol
LogP1.90
Rot. Bonds3

About 2-[3-[(3-hydroxycyclobutyl)amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)pyridin-3-ol

2-[3-[(3-hydroxycyclobutyl)amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)pyridin-3-ol (PubChem CID 170259368) has the molecular formula C14H14F3N5O2 and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-[3-[(3-hydroxycyclobutyl)amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name2-[3-[(3-hydroxycyclobutyl)amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)pyridin-3-ol
PubChem CID170259368
Molecular FormulaC14H14F3N5O2
Molecular Weight341.29 g/mol
Exact Mass341.11
IUPAC Name2-[3-[(3-hydroxycyclobutyl)amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)pyridin-3-ol
SMILESCc1nc(NC2CC(O)C2)nnc1-c1ncc(C(F)(F)F)cc1O
InChIInChI=1S/C14H14F3N5O2/c1-6-11(12-10(24)2-7(5-18-12)14(15,16)17)21-22-13(19-6)20-8-3-9(23)4-8/h2,5,8-9,23-24H,3-4H2,1H3,(H,19,20,22)
InChIKeyGYAJEJPIJBYYLR-UHFFFAOYSA-N
XLogP1.90
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[3-[(3-hydroxycyclobutyl)amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)pyridin-3-ol with MolForge

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Related Compounds

2-[3-[(4-hydroxycyclohexyl)amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 171763589
2-(3-amino-5-methyl-1,2,4-triazin-6-yl)-5-(trifluoromethyl)pyridin-3-ol
CID 170260348
2-[1-[(3-hydroxycyclobutyl)amino]pyrido[3,4-d]pyridazin-4-yl]-5-(trifluoromethyl)pyridin-3-ol
CID 170259104
trans-(1R,2R)-2-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]amino]cycloheptan-1-ol
CID 171763651
2-[3-[[(3R,5S)-5-fluoro-1-methylpiperidin-3-yl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 166152944
3-methyl-2-[5-methyl-3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 170258663
2-[3-[[(3R)-1-cyclopropylpiperidin-3-yl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 166099156
2-[4-[(3-hydroxycyclobutyl)amino]phthalazin-1-yl]-3-methyl-5-(trifluoromethyl)phenol
CID 170259050
2-[3-[[(1R,3S)-3-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-methylphenol
CID 171763636
tert-butyl 3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 175801079
2-[6-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)pyridin-3-ol
CID 170259546
2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-propan-2-yl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 171763656

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-hydroxycyclobutyl)amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)pyridin-3-ol?
The IUPAC name of 2-[3-[(3-hydroxycyclobutyl)amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)pyridin-3-ol (CID 170259368) is 2-[3-[(3-hydroxycyclobutyl)amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)pyridin-3-ol.
What is the SMILES notation for 2-[3-[(3-hydroxycyclobutyl)amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)pyridin-3-ol?
The canonical SMILES for 2-[3-[(3-hydroxycyclobutyl)amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)pyridin-3-ol is Cc1nc(NC2CC(O)C2)nnc1-c1ncc(C(F)(F)F)cc1O.
What is the InChIKey of 2-[3-[(3-hydroxycyclobutyl)amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)pyridin-3-ol?
The InChIKey is GYAJEJPIJBYYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2/c1-6-11(12-10(24)2-7(5-18-12)14(15,16)17)21-22-13(19-6)20-8-3-9(23)4-8/h2,5,8-9,23-24H,3-4H2,1H3,(H,19,20,22).
What are the key properties of 2-[3-[(3-hydroxycyclobutyl)amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)pyridin-3-ol?
2-[3-[(3-hydroxycyclobutyl)amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)pyridin-3-ol has a molecular weight of 341.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-hydroxycyclobutyl)amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)pyridin-3-ol is sourced from PubChem (CID 170259368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).