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

C13H15FN4O — CID 107721133

IUPAC4-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-fluorophenol
SMILESCC(c1ccc(O)cc1F)N1CCn2cnnc2C1
InChIInChI=1S/C13H15FN4O/c1-9(11-3-2-10(19)6-12(11)14)17-4-5-18-8-15-16-13(18)7-17/h2-3,6,8-9,19H,4-5,7H2,1H3
InChIKeyVVVWGGJCHZYPPH-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.70
Rot. Bonds2

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

4-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-fluorophenol (PubChem CID 107721133) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-fluorophenol
PubChem CID107721133
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name4-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-fluorophenol
SMILESCC(c1ccc(O)cc1F)N1CCn2cnnc2C1
InChIInChI=1S/C13H15FN4O/c1-9(11-3-2-10(19)6-12(11)14)17-4-5-18-8-15-16-13(18)7-17/h2-3,6,8-9,19H,4-5,7H2,1H3
InChIKeyVVVWGGJCHZYPPH-UHFFFAOYSA-N
XLogP1.70
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-[(4-Methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]phenol
CID 3201744
4-[(1-Benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]phenol
CID 3590417
4-[[1-[(4-Fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]phenol
CID 3201622
4-[[1-[(4-Fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol
CID 3201743
2-[2-[4-[(1S)-1-phenylethyl]-1,2,4-triazol-3-yl]ethyl]phenol
CID 95220725
2-Fluoro-4-(4-methyl-1,2,4-triazol-3-yl)phenol
CID 136437815
3-Fluoro-4-(2-methyl-1,2,4-triazol-3-yl)phenol
CID 137191025
4-[[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-(1-tert-butyltetrazol-5-yl)methyl]-3-fluorophenol
CID 144851661
4-[5-(Difluoromethyl)-1-propan-2-yl-1,2,4-triazol-3-yl]phenol
CID 146533125
4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]phenol
CID 1433520
4-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]phenol
CID 1433521
4-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol
CID 1433960

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-fluorophenol?
The IUPAC name of 4-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-fluorophenol (CID 107721133) is 4-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-fluorophenol.
What is the SMILES notation for 4-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-fluorophenol?
The canonical SMILES for 4-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-fluorophenol is CC(c1ccc(O)cc1F)N1CCn2cnnc2C1.
What is the InChIKey of 4-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-fluorophenol?
The InChIKey is VVVWGGJCHZYPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-9(11-3-2-10(19)6-12(11)14)17-4-5-18-8-15-16-13(18)7-17/h2-3,6,8-9,19H,4-5,7H2,1H3.
What are the key properties of 4-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-fluorophenol?
4-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-fluorophenol has a molecular weight of 262.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-fluorophenol is sourced from PubChem (CID 107721133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).