(Z)-2-methyl-4-[3-[2-propan-2-yloxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]but-3-ene-1,2-diol

C16H19F3N4O3 — CID 163454682

IUPAC(Z)-2-methyl-4-[3-[2-propan-2-yloxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]but-3-ene-1,2-diol
SMILESCC(C)Oc1cc(-c2ncn(/C=C\C(C)(O)CO)n2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H19F3N4O3/c1-10(2)26-13-7-11(6-12(21-13)16(17,18)19)14-20-9-23(22-14)5-4-15(3,25)8-24/h4-7,9-10,24-25H,8H2,1-3H3/b5-4-
InChIKeyBJLIMMCAWKWQMK-PLNGDYQASA-N
MW372.35 g/mol
LogP2.36
Rot. Bonds6

About (Z)-2-methyl-4-[3-[2-propan-2-yloxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]but-3-ene-1,2-diol

(Z)-2-methyl-4-[3-[2-propan-2-yloxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]but-3-ene-1,2-diol (PubChem CID 163454682) has the molecular formula C16H19F3N4O3 and a molecular weight of 372.35 g/mol. Its IUPAC name is (Z)-2-methyl-4-[3-[2-propan-2-yloxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]but-3-ene-1,2-diol.

Molecular Properties

Compound Name(Z)-2-methyl-4-[3-[2-propan-2-yloxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]but-3-ene-1,2-diol
PubChem CID163454682
Molecular FormulaC16H19F3N4O3
Molecular Weight372.35 g/mol
Exact Mass372.14
IUPAC Name(Z)-2-methyl-4-[3-[2-propan-2-yloxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]but-3-ene-1,2-diol
SMILESCC(C)Oc1cc(-c2ncn(/C=C\C(C)(O)CO)n2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H19F3N4O3/c1-10(2)26-13-7-11(6-12(21-13)16(17,18)19)14-20-9-23(22-14)5-4-15(3,25)8-24/h4-7,9-10,24-25H,8H2,1-3H3/b5-4-
InChIKeyBJLIMMCAWKWQMK-PLNGDYQASA-N
XLogP2.36
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (Z)-2-methyl-4-[3-[2-propan-2-yloxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]but-3-ene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-isopropyl 3-(3-(2-isopropoxy-6-(trifluoromethyl)pyridin-4-yl)-1H-1,2,4-triazol-1-yl)acrylate
CID 53386231
pyridin-2-ylmethyl (Z)-3-[3-[2-propan-2-yloxy-6-(trifluoromethyl)pyridin-4-yl]-1,2,4-triazol-1-yl]prop-2-enoate
CID 53386234
1-[5-(2-Methoxy-4-pyridinyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol
CID 131909925
(2R,3R)-2-(2,4-difluorophenyl)-3-[(4-phenyl-2-pyridinyl)oxy]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 11037247
3,3-Dimethyl-4-fluoro-1-(6-fluoro-pyridin-2-yl-oxy)-1-(1,2,4-triazol-1-yl)-butan-2-ol
CID 12806795
2-(2-Methyl-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenoxy]pyridine
CID 18921381
2-[(Z)-2-[3-[2-propan-2-yloxy-6-(trifluoromethyl)pyridin-4-yl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 57524355
2-[(Z)-2-[3-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine
CID 57524430
2-(2,4-Difluorophenyl)-3-pyridin-2-yloxy-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 57995468
(2R,3R)-2-(2,4-difluorophenyl)-3-[(4-pyridin-2-yl-2-pyridinyl)oxy]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 57995470
propan-2-yl (E)-3-[3-[2-propan-2-yloxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]prop-2-enoate
CID 66996966
Propan-2-yl 3-[3-[2-propan-2-yloxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]prop-2-enoate
CID 66996967

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-4-[3-[2-propan-2-yloxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]but-3-ene-1,2-diol?
The IUPAC name of (Z)-2-methyl-4-[3-[2-propan-2-yloxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]but-3-ene-1,2-diol (CID 163454682) is (Z)-2-methyl-4-[3-[2-propan-2-yloxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]but-3-ene-1,2-diol.
What is the SMILES notation for (Z)-2-methyl-4-[3-[2-propan-2-yloxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]but-3-ene-1,2-diol?
The canonical SMILES for (Z)-2-methyl-4-[3-[2-propan-2-yloxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]but-3-ene-1,2-diol is CC(C)Oc1cc(-c2ncn(/C=C\C(C)(O)CO)n2)cc(C(F)(F)F)n1.
What is the InChIKey of (Z)-2-methyl-4-[3-[2-propan-2-yloxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]but-3-ene-1,2-diol?
The InChIKey is BJLIMMCAWKWQMK-PLNGDYQASA-N. The full InChI is InChI=1S/C16H19F3N4O3/c1-10(2)26-13-7-11(6-12(21-13)16(17,18)19)14-20-9-23(22-14)5-4-15(3,25)8-24/h4-7,9-10,24-25H,8H2,1-3H3/b5-4-.
What are the key properties of (Z)-2-methyl-4-[3-[2-propan-2-yloxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]but-3-ene-1,2-diol?
(Z)-2-methyl-4-[3-[2-propan-2-yloxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]but-3-ene-1,2-diol has a molecular weight of 372.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-4-[3-[2-propan-2-yloxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]but-3-ene-1,2-diol is sourced from PubChem (CID 163454682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).