(3-anilino-1H-1,2,4-triazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol

C16H13F3N4O — CID 134806041

IUPAC(3-anilino-1H-1,2,4-triazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cccc(C(F)(F)F)c1)c1nc(Nc2ccccc2)n[nH]1
InChIInChI=1S/C16H13F3N4O/c17-16(18,19)11-6-4-5-10(9-11)13(24)14-21-15(23-22-14)20-12-7-2-1-3-8-12/h1-9,13,24H,(H2,20,21,22,23)
InChIKeySRFKIJVSOYVNSC-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.65
Rot. Bonds4

About (3-anilino-1H-1,2,4-triazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol

(3-anilino-1H-1,2,4-triazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol (PubChem CID 134806041) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is (3-anilino-1H-1,2,4-triazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(3-anilino-1H-1,2,4-triazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol
PubChem CID134806041
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name(3-anilino-1H-1,2,4-triazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cccc(C(F)(F)F)c1)c1nc(Nc2ccccc2)n[nH]1
InChIInChI=1S/C16H13F3N4O/c17-16(18,19)11-6-4-5-10(9-11)13(24)14-21-15(23-22-14)20-12-7-2-1-3-8-12/h1-9,13,24H,(H2,20,21,22,23)
InChIKeySRFKIJVSOYVNSC-UHFFFAOYSA-N
XLogP3.65
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-anilino-1H-1,2,4-triazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (3-anilino-1H-1,2,4-triazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol (CID 134806041) is (3-anilino-1H-1,2,4-triazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (3-anilino-1H-1,2,4-triazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (3-anilino-1H-1,2,4-triazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol is OC(c1cccc(C(F)(F)F)c1)c1nc(Nc2ccccc2)n[nH]1.
What is the InChIKey of (3-anilino-1H-1,2,4-triazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol?
The InChIKey is SRFKIJVSOYVNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c17-16(18,19)11-6-4-5-10(9-11)13(24)14-21-15(23-22-14)20-12-7-2-1-3-8-12/h1-9,13,24H,(H2,20,21,22,23).
What are the key properties of (3-anilino-1H-1,2,4-triazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol?
(3-anilino-1H-1,2,4-triazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol has a molecular weight of 334.30 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-anilino-1H-1,2,4-triazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 134806041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).