[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methanol

C10H10F2N4O — CID 162723293

IUPAC[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methanol
SMILESCn1nnc(-c2ccc(C(F)F)cn2)c1CO
InChIInChI=1S/C10H10F2N4O/c1-16-8(5-17)9(14-15-16)7-3-2-6(4-13-7)10(11)12/h2-4,10,17H,5H2,1H3
InChIKeyFKRRNJBLGCAUIO-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.31
Rot. Bonds3

About [5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methanol

[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methanol (PubChem CID 162723293) has the molecular formula C10H10F2N4O and a molecular weight of 240.21 g/mol. Its IUPAC name is [5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methanol
PubChem CID162723293
Molecular FormulaC10H10F2N4O
Molecular Weight240.21 g/mol
Exact Mass240.08
IUPAC Name[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methanol
SMILESCn1nnc(-c2ccc(C(F)F)cn2)c1CO
InChIInChI=1S/C10H10F2N4O/c1-16-8(5-17)9(14-15-16)7-3-2-6(4-13-7)10(11)12/h2-4,10,17H,5H2,1H3
InChIKeyFKRRNJBLGCAUIO-UHFFFAOYSA-N
XLogP1.31
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methanol?
The IUPAC name of [5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methanol (CID 162723293) is [5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methanol.
What is the SMILES notation for [5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methanol?
The canonical SMILES for [5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methanol is Cn1nnc(-c2ccc(C(F)F)cn2)c1CO.
What is the InChIKey of [5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methanol?
The InChIKey is FKRRNJBLGCAUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O/c1-16-8(5-17)9(14-15-16)7-3-2-6(4-13-7)10(11)12/h2-4,10,17H,5H2,1H3.
What are the key properties of [5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methanol?
[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methanol has a molecular weight of 240.21 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methanol is sourced from PubChem (CID 162723293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).