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

C10H10F2N4O — CID 162785935

IUPAC[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methanol
SMILESCc1nnn(-c2ccc(C(F)F)cn2)c1CO
InChIInChI=1S/C10H10F2N4O/c1-6-8(5-17)16(15-14-6)9-3-2-7(4-13-9)10(11)12/h2-4,10,17H,5H2,1H3
InChIKeyXRUXAXBZEXFXQP-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.40
Rot. Bonds3

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

[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methanol (PubChem CID 162785935) has the molecular formula C10H10F2N4O and a molecular weight of 240.21 g/mol. Its IUPAC name is [3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methanol
PubChem CID162785935
Molecular FormulaC10H10F2N4O
Molecular Weight240.21 g/mol
Exact Mass240.08
IUPAC Name[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methanol
SMILESCc1nnn(-c2ccc(C(F)F)cn2)c1CO
InChIInChI=1S/C10H10F2N4O/c1-6-8(5-17)16(15-14-6)9-3-2-7(4-13-9)10(11)12/h2-4,10,17H,5H2,1H3
InChIKeyXRUXAXBZEXFXQP-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(8-Methylimidazo[1,2-a]pyridin-3-yl)methanol
CID 10773286
(8-Methylimidazo(1,2-a)pyridin-2-yl)methanol
CID 19735652
{1-[5-(trifluoromethyl)pyridin-2-yl]-1H-1,2,3-triazol-4-yl}methanol
CID 16322143
[3-(Trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanol
CID 20825686
{3-methyl-1-[5-(trifluoromethyl)-2-pyridyl]-1H-pyrazol-4-yl}methanol
CID 23111797
{1-[5-(Trifluoromethyl)-2-pyridinyl]-1H-tetrazol-5-yl}methanol
CID 66654834
[3-(Methoxymethyl)-1-[4-(trifluoromethyl)pyridin-2-yl]pyrazol-4-yl]methanol
CID 66777665
(8-(Trifluoromethyl)imidazo[1,2-a]pyridin-2-yl)methanol
CID 67426059
[6-(3,4-Difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methanol
CID 67501940
(6-(3,4,5-Trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl)methanol
CID 67502440
(2-Trifluoromethylimidazo[1,2-a]pyridin-3-yl)methanol
CID 68492611
(3-isopropyl-1-[5-(trifluoromethyl)-2-pyridyl]-1H-pyrazol-4-yl]methanol
CID 69644203

Frequently Asked Questions

What is the IUPAC name of [3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methanol?
The IUPAC name of [3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methanol (CID 162785935) is [3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methanol.
What is the SMILES notation for [3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methanol?
The canonical SMILES for [3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methanol is Cc1nnn(-c2ccc(C(F)F)cn2)c1CO.
What is the InChIKey of [3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methanol?
The InChIKey is XRUXAXBZEXFXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O/c1-6-8(5-17)16(15-14-6)9-3-2-7(4-13-9)10(11)12/h2-4,10,17H,5H2,1H3.
What are the key properties of [3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methanol?
[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methanol has a molecular weight of 240.21 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methanol is sourced from PubChem (CID 162785935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).