[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,5-difluorophenyl]methanol

C12H12F2N4O — CID 64577084

IUPAC[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(N2CCn3cnnc3C2)c(F)c1
InChIInChI=1S/C12H12F2N4O/c13-9-3-8(6-19)4-10(14)12(9)17-1-2-18-7-15-16-11(18)5-17/h3-4,7,19H,1-2,5-6H2
InChIKeyLQYWQUIAFLMFJD-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.07
Rot. Bonds2

About [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,5-difluorophenyl]methanol

[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,5-difluorophenyl]methanol (PubChem CID 64577084) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,5-difluorophenyl]methanol
PubChem CID64577084
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(N2CCn3cnnc3C2)c(F)c1
InChIInChI=1S/C12H12F2N4O/c13-9-3-8(6-19)4-10(14)12(9)17-1-2-18-7-15-16-11(18)5-17/h3-4,7,19H,1-2,5-6H2
InChIKeyLQYWQUIAFLMFJD-UHFFFAOYSA-N
XLogP1.07
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,5-difluorophenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,5-difluorophenyl]methanol?
The IUPAC name of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,5-difluorophenyl]methanol (CID 64577084) is [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,5-difluorophenyl]methanol is OCc1cc(F)c(N2CCn3cnnc3C2)c(F)c1.
What is the InChIKey of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,5-difluorophenyl]methanol?
The InChIKey is LQYWQUIAFLMFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c13-9-3-8(6-19)4-10(14)12(9)17-1-2-18-7-15-16-11(18)5-17/h3-4,7,19H,1-2,5-6H2.
What are the key properties of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,5-difluorophenyl]methanol?
[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,5-difluorophenyl]methanol has a molecular weight of 266.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,5-difluorophenyl]methanol is sourced from PubChem (CID 64577084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).