(3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol

C10H9F3N4O — CID 118021600

IUPAC(3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
SMILESCn1nncc1C(O)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3N4O/c1-17-7(5-15-16-17)9(18)6-2-3-14-8(4-6)10(11,12)13/h2-5,9,18H,1H3
InChIKeyFUDBLANWVQOCJI-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.31
Rot. Bonds2

About (3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol

(3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 118021600) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is (3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name(3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
PubChem CID118021600
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name(3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
SMILESCn1nncc1C(O)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3N4O/c1-17-7(5-15-16-17)9(18)6-2-3-14-8(4-6)10(11,12)13/h2-5,9,18H,1H3
InChIKeyFUDBLANWVQOCJI-UHFFFAOYSA-N
XLogP1.31
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of (3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol (CID 118021600) is (3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for (3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for (3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol is Cn1nncc1C(O)c1ccnc(C(F)(F)F)c1.
What is the InChIKey of (3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?
The InChIKey is FUDBLANWVQOCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c1-17-7(5-15-16-17)9(18)6-2-3-14-8(4-6)10(11,12)13/h2-5,9,18H,1H3.
What are the key properties of (3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?
(3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol has a molecular weight of 258.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 118021600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).