[4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol

C13H10F2N4O — CID 134543947

IUPAC[4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol
SMILESOCc1ccc(-c2cn3c(C(F)F)nnc3cn2)cc1
InChIInChI=1S/C13H10F2N4O/c14-12(15)13-18-17-11-5-16-10(6-19(11)13)9-3-1-8(7-20)2-4-9/h1-6,12,20H,7H2
InChIKeyUFDQBKZQGKDPMG-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.22
Rot. Bonds3

About [4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol

[4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol (PubChem CID 134543947) has the molecular formula C13H10F2N4O and a molecular weight of 276.25 g/mol. Its IUPAC name is [4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol
PubChem CID134543947
Molecular FormulaC13H10F2N4O
Molecular Weight276.25 g/mol
Exact Mass276.08
IUPAC Name[4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol
SMILESOCc1ccc(-c2cn3c(C(F)F)nnc3cn2)cc1
InChIInChI=1S/C13H10F2N4O/c14-12(15)13-18-17-11-5-16-10(6-19(11)13)9-3-1-8(7-20)2-4-9/h1-6,12,20H,7H2
InChIKeyUFDQBKZQGKDPMG-UHFFFAOYSA-N
XLogP2.22
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 161110476
3-(difluoromethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 155338038
3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol
CID 140905318
[4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanol
CID 126672892
6-[4-(methoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 134555591
4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenol
CID 134555720
3-(difluoromethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 142362306
[4-(1-methylimidazol-4-yl)phenyl]methanol
CID 142503697
3-[bromo(difluoro)methyl]-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 153370780
[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol
CID 134543887
6-(4-ethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 134555560
[6-(4-bromophenyl)-3-pyridinyl]methanol
CID 24729901

Frequently Asked Questions

What is the IUPAC name of [4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol?
The IUPAC name of [4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol (CID 134543947) is [4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol.
What is the SMILES notation for [4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol?
The canonical SMILES for [4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol is OCc1ccc(-c2cn3c(C(F)F)nnc3cn2)cc1.
What is the InChIKey of [4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol?
The InChIKey is UFDQBKZQGKDPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4O/c14-12(15)13-18-17-11-5-16-10(6-19(11)13)9-3-1-8(7-20)2-4-9/h1-6,12,20H,7H2.
What are the key properties of [4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol?
[4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol has a molecular weight of 276.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol is sourced from PubChem (CID 134543947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).