8-[(3-fluorophenyl)methoxy]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazine

C15H15FN4O — CID 121273160

IUPAC8-[(3-fluorophenyl)methoxy]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCc1nnc2c(OCc3cccc(F)c3)nccn12
InChIInChI=1S/C15H15FN4O/c1-2-4-13-18-19-14-15(17-7-8-20(13)14)21-10-11-5-3-6-12(16)9-11/h3,5-9H,2,4,10H2,1H3
InChIKeyNDDUWPYSNWODCM-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.79
Rot. Bonds5

About 8-[(3-fluorophenyl)methoxy]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazine

8-[(3-fluorophenyl)methoxy]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 121273160) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 8-[(3-fluorophenyl)methoxy]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-[(3-fluorophenyl)methoxy]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID121273160
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name8-[(3-fluorophenyl)methoxy]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCc1nnc2c(OCc3cccc(F)c3)nccn12
InChIInChI=1S/C15H15FN4O/c1-2-4-13-18-19-14-15(17-7-8-20(13)14)21-10-11-5-3-6-12(16)9-11/h3,5-9H,2,4,10H2,1H3
InChIKeyNDDUWPYSNWODCM-UHFFFAOYSA-N
XLogP2.79
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-fluorophenyl)methoxy]-3-methylpyrazine
CID 126954248
1-butyl-4-[(3-fluorophenyl)methoxy]benzene
CID 162218759
8-chloro-3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117146916
8-methyl-3-propyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117147073
3-[(3-fluorophenyl)methoxy]pyridazine
CID 171984777
1-fluoro-3-[(4-hexylphenoxy)methyl]benzene
CID 123640981
3-[(3-fluorophenyl)methoxy]pyridine
CID 18758418
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
3-(2-ethylpiperidin-1-yl)-4-[(3-fluorophenyl)methoxy]-1,2,5-thiadiazole
CID 43949680
1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine
CID 63969593
2-[(3-fluorophenyl)methoxy]-4,6-dimethyl-3-nitropyridine
CID 75452907
N-[[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107695868

Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluorophenyl)methoxy]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-[(3-fluorophenyl)methoxy]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazine (CID 121273160) is 8-[(3-fluorophenyl)methoxy]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-[(3-fluorophenyl)methoxy]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-[(3-fluorophenyl)methoxy]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazine is CCCc1nnc2c(OCc3cccc(F)c3)nccn12.
What is the InChIKey of 8-[(3-fluorophenyl)methoxy]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is NDDUWPYSNWODCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-2-4-13-18-19-14-15(17-7-8-20(13)14)21-10-11-5-3-6-12(16)9-11/h3,5-9H,2,4,10H2,1H3.
What are the key properties of 8-[(3-fluorophenyl)methoxy]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazine?
8-[(3-fluorophenyl)methoxy]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 286.31 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-fluorophenyl)methoxy]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 121273160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).