(4-methyl-1,2,4-triazol-3-yl)-[2-(trifluoromethyl)phenyl]methanol

C11H10F3N3O — CID 67682787

IUPAC(4-methyl-1,2,4-triazol-3-yl)-[2-(trifluoromethyl)phenyl]methanol
SMILESCn1cnnc1C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H10F3N3O/c1-17-6-15-16-10(17)9(18)7-4-2-3-5-8(7)11(12,13)14/h2-6,9,18H,1H3
InChIKeyYTMIDTCSGMSBCX-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.92
Rot. Bonds2

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

(4-methyl-1,2,4-triazol-3-yl)-[2-(trifluoromethyl)phenyl]methanol (PubChem CID 67682787) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is (4-methyl-1,2,4-triazol-3-yl)-[2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-methyl-1,2,4-triazol-3-yl)-[2-(trifluoromethyl)phenyl]methanol
PubChem CID67682787
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name(4-methyl-1,2,4-triazol-3-yl)-[2-(trifluoromethyl)phenyl]methanol
SMILESCn1cnnc1C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H10F3N3O/c1-17-6-15-16-10(17)9(18)7-4-2-3-5-8(7)11(12,13)14/h2-6,9,18H,1H3
InChIKeyYTMIDTCSGMSBCX-UHFFFAOYSA-N
XLogP1.92
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,2,4-triazol-3-yl)-[2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (4-methyl-1,2,4-triazol-3-yl)-[2-(trifluoromethyl)phenyl]methanol (CID 67682787) is (4-methyl-1,2,4-triazol-3-yl)-[2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (4-methyl-1,2,4-triazol-3-yl)-[2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (4-methyl-1,2,4-triazol-3-yl)-[2-(trifluoromethyl)phenyl]methanol is Cn1cnnc1C(O)c1ccccc1C(F)(F)F.
What is the InChIKey of (4-methyl-1,2,4-triazol-3-yl)-[2-(trifluoromethyl)phenyl]methanol?
The InChIKey is YTMIDTCSGMSBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-17-6-15-16-10(17)9(18)7-4-2-3-5-8(7)11(12,13)14/h2-6,9,18H,1H3.
What are the key properties of (4-methyl-1,2,4-triazol-3-yl)-[2-(trifluoromethyl)phenyl]methanol?
(4-methyl-1,2,4-triazol-3-yl)-[2-(trifluoromethyl)phenyl]methanol has a molecular weight of 257.22 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,2,4-triazol-3-yl)-[2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 67682787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).