3-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]pyridine-2-carbonitrile

C19H16F3N5O — CID 58244123

IUPAC3-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]pyridine-2-carbonitrile
SMILESCn1c(-c2ccccc2C(F)(F)F)nnc1C(C)(C)Oc1cccnc1C#N
InChIInChI=1S/C19H16F3N5O/c1-18(2,28-15-9-6-10-24-14(15)11-23)17-26-25-16(27(17)3)12-7-4-5-8-13(12)19(20,21)22/h4-10H,1-3H3
InChIKeyFIDZUHINJZJDSG-UHFFFAOYSA-N
MW387.37 g/mol
LogP4.08
Rot. Bonds4

About 3-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]pyridine-2-carbonitrile

3-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]pyridine-2-carbonitrile (PubChem CID 58244123) has the molecular formula C19H16F3N5O and a molecular weight of 387.37 g/mol. Its IUPAC name is 3-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]pyridine-2-carbonitrile
PubChem CID58244123
Molecular FormulaC19H16F3N5O
Molecular Weight387.37 g/mol
Exact Mass387.13
IUPAC Name3-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]pyridine-2-carbonitrile
SMILESCn1c(-c2ccccc2C(F)(F)F)nnc1C(C)(C)Oc1cccnc1C#N
InChIInChI=1S/C19H16F3N5O/c1-18(2,28-15-9-6-10-24-14(15)11-23)17-26-25-16(27(17)3)12-7-4-5-8-13(12)19(20,21)22/h4-10H,1-3H3
InChIKeyFIDZUHINJZJDSG-UHFFFAOYSA-N
XLogP4.08
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzonitrile
CID 58243975
3-[2-(2-chloro-4-fluorophenoxy)propan-2-yl]-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 58243979
5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzoic acid
CID 58244031
4-[5-[2-(2,4-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzonitrile
CID 58244292
N'-hydroxy-4-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzenecarboximidamide
CID 58244040
5-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-1,3,4-oxadiazole-2-carboxylic acid
CID 150582152
2-fluoro-4-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzamide
CID 58243982
5-chloro-N-cyclopropyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzamide;hydrochloride
CID 67024346
3-[[5-methyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzoyl]amino]propanoic acid
CID 143921164
5-[5-carbamoyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-1,2,4-oxadiazole-3-carboxamide
CID 58243598
3-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 58244184
3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile
CID 62920098

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]pyridine-2-carbonitrile?
The IUPAC name of 3-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]pyridine-2-carbonitrile (CID 58244123) is 3-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]pyridine-2-carbonitrile?
The canonical SMILES for 3-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]pyridine-2-carbonitrile is Cn1c(-c2ccccc2C(F)(F)F)nnc1C(C)(C)Oc1cccnc1C#N.
What is the InChIKey of 3-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]pyridine-2-carbonitrile?
The InChIKey is FIDZUHINJZJDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O/c1-18(2,28-15-9-6-10-24-14(15)11-23)17-26-25-16(27(17)3)12-7-4-5-8-13(12)19(20,21)22/h4-10H,1-3H3.
What are the key properties of 3-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]pyridine-2-carbonitrile?
3-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]pyridine-2-carbonitrile has a molecular weight of 387.37 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]pyridine-2-carbonitrile is sourced from PubChem (CID 58244123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).