3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one

C19H17F3N4O2 — CID 166557659

IUPAC3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESCn1cnnc1CC1(c2cccc(-c3cc(C(F)(F)F)c[nH]c3=O)c2)COC1
InChIInChI=1S/C19H17F3N4O2/c1-26-11-24-25-16(26)7-18(9-28-10-18)13-4-2-3-12(5-13)15-6-14(19(20,21)22)8-23-17(15)27/h2-6,8,11H,7,9-10H2,1H3,(H,23,27)
InChIKeyGQSWMDYMLCBAMO-UHFFFAOYSA-N
MW390.37 g/mol
LogP2.70
Rot. Bonds4

About 3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one

3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 166557659) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID166557659
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESCn1cnnc1CC1(c2cccc(-c3cc(C(F)(F)F)c[nH]c3=O)c2)COC1
InChIInChI=1S/C19H17F3N4O2/c1-26-11-24-25-16(26)7-18(9-28-10-18)13-4-2-3-12(5-13)15-6-14(19(20,21)22)8-23-17(15)27/h2-6,8,11H,7,9-10H2,1H3,(H,23,27)
InChIKeyGQSWMDYMLCBAMO-UHFFFAOYSA-N
XLogP2.70
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one (CID 166557659) is 3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one is Cn1cnnc1CC1(c2cccc(-c3cc(C(F)(F)F)c[nH]c3=O)c2)COC1.
What is the InChIKey of 3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is GQSWMDYMLCBAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-26-11-24-25-16(26)7-18(9-28-10-18)13-4-2-3-12(5-13)15-6-14(19(20,21)22)8-23-17(15)27/h2-6,8,11H,7,9-10H2,1H3,(H,23,27).
What are the key properties of 3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one?
3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 390.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 166557659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).