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

C12H12F3N3O — CID 172800977

IUPAC[4-[1-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol
SMILESCCn1nc(-c2ccc(CO)cc2)nc1C(F)(F)F
InChIInChI=1S/C12H12F3N3O/c1-2-18-11(12(13,14)15)16-10(17-18)9-5-3-8(7-19)4-6-9/h3-6,19H,2,7H2,1H3
InChIKeyQVYGAKRUZVWYMO-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.48
Rot. Bonds3

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

[4-[1-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol (PubChem CID 172800977) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is [4-[1-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[1-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol
PubChem CID172800977
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name[4-[1-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol
SMILESCCn1nc(-c2ccc(CO)cc2)nc1C(F)(F)F
InChIInChI=1S/C12H12F3N3O/c1-2-18-11(12(13,14)15)16-10(17-18)9-5-3-8(7-19)4-6-9/h3-6,19H,2,7H2,1H3
InChIKeyQVYGAKRUZVWYMO-UHFFFAOYSA-N
XLogP2.48
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[1-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol?
The IUPAC name of [4-[1-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol (CID 172800977) is [4-[1-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[1-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol?
The canonical SMILES for [4-[1-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol is CCn1nc(-c2ccc(CO)cc2)nc1C(F)(F)F.
What is the InChIKey of [4-[1-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol?
The InChIKey is QVYGAKRUZVWYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-2-18-11(12(13,14)15)16-10(17-18)9-5-3-8(7-19)4-6-9/h3-6,19H,2,7H2,1H3.
What are the key properties of [4-[1-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol?
[4-[1-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol has a molecular weight of 271.24 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol is sourced from PubChem (CID 172800977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).