3-[2-[5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-pyridinyl]ethyl]oxetan-3-ol

C19H19F2N5O2 — CID 134589796

IUPAC3-[2-[5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-pyridinyl]ethyl]oxetan-3-ol
SMILESCc1ncc(CCC2(O)COC2)cc1Nc1ncn(-c2cc(F)cc(F)c2)n1
InChIInChI=1S/C19H19F2N5O2/c1-12-17(4-13(8-22-12)2-3-19(27)9-28-10-19)24-18-23-11-26(25-18)16-6-14(20)5-15(21)7-16/h4-8,11,27H,2-3,9-10H2,1H3,(H,24,25)
InChIKeyFYMIIHRQATXSFA-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.69
Rot. Bonds6

About 3-[2-[5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-pyridinyl]ethyl]oxetan-3-ol

3-[2-[5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-pyridinyl]ethyl]oxetan-3-ol (PubChem CID 134589796) has the molecular formula C19H19F2N5O2 and a molecular weight of 387.39 g/mol. Its IUPAC name is 3-[2-[5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-pyridinyl]ethyl]oxetan-3-ol.

Molecular Properties

Compound Name3-[2-[5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-pyridinyl]ethyl]oxetan-3-ol
PubChem CID134589796
Molecular FormulaC19H19F2N5O2
Molecular Weight387.39 g/mol
Exact Mass387.15
IUPAC Name3-[2-[5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-pyridinyl]ethyl]oxetan-3-ol
SMILESCc1ncc(CCC2(O)COC2)cc1Nc1ncn(-c2cc(F)cc(F)c2)n1
InChIInChI=1S/C19H19F2N5O2/c1-12-17(4-13(8-22-12)2-3-19(27)9-28-10-19)24-18-23-11-26(25-18)16-6-14(20)5-15(21)7-16/h4-8,11,27H,2-3,9-10H2,1H3,(H,24,25)
InChIKeyFYMIIHRQATXSFA-UHFFFAOYSA-N
XLogP2.69
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-[5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-pyridinyl]ethyl]oxetan-3-ol with MolForge

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Related Compounds

N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine
CID 134589684
1-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-1,2,4-triazol-3-amine
CID 142371450
2-methyl-5-(oxan-4-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 134589899
N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-ethyl-5-propan-2-yloxypyridin-3-amine
CID 134589963
1-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-2-fluorophenyl]ethanol
CID 134590165
1-(3,5-difluorophenyl)-N-(2-fluoro-5-methyl-3-piperazin-1-ylphenyl)-1,2,4-triazol-3-amine
CID 139297525
N-[[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-5-methylphenyl]methyl]acetamide
CID 134605746
3-N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-5-methyl-1-N-[(1-morpholin-4-ylcyclopropyl)methyl]benzene-1,3-diamine;molecular hydrogen
CID 157395331
1-(3,5-difluorophenyl)-N-[2-fluoro-5-methyl-3-(3-morpholin-4-ylazetidin-1-yl)phenyl]-1,2,4-triazol-3-amine;molecular hydrogen
CID 157379943
1-(3,5-difluorophenyl)-N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-amine
CID 134589674
N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-5-methyl-2-(oxetan-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine
CID 134589882
3-N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-1-N-(2-methoxyethyl)-5-methylbenzene-1,3-diamine
CID 142371440

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-pyridinyl]ethyl]oxetan-3-ol?
The IUPAC name of 3-[2-[5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-pyridinyl]ethyl]oxetan-3-ol (CID 134589796) is 3-[2-[5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-pyridinyl]ethyl]oxetan-3-ol.
What is the SMILES notation for 3-[2-[5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-pyridinyl]ethyl]oxetan-3-ol?
The canonical SMILES for 3-[2-[5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-pyridinyl]ethyl]oxetan-3-ol is Cc1ncc(CCC2(O)COC2)cc1Nc1ncn(-c2cc(F)cc(F)c2)n1.
What is the InChIKey of 3-[2-[5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-pyridinyl]ethyl]oxetan-3-ol?
The InChIKey is FYMIIHRQATXSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2/c1-12-17(4-13(8-22-12)2-3-19(27)9-28-10-19)24-18-23-11-26(25-18)16-6-14(20)5-15(21)7-16/h4-8,11,27H,2-3,9-10H2,1H3,(H,24,25).
What are the key properties of 3-[2-[5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-pyridinyl]ethyl]oxetan-3-ol?
3-[2-[5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-pyridinyl]ethyl]oxetan-3-ol has a molecular weight of 387.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-pyridinyl]ethyl]oxetan-3-ol is sourced from PubChem (CID 134589796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).