3-(1-fluoroethyl)-7-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C14H12F2N4O — CID 121273162

IUPAC3-(1-fluoroethyl)-7-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCC(F)c1nnc2c(=O)n(Cc3cccc(F)c3)ccn12
InChIInChI=1S/C14H12F2N4O/c1-9(15)12-17-18-13-14(21)19(5-6-20(12)13)8-10-3-2-4-11(16)7-10/h2-7,9H,8H2,1H3
InChIKeySLBOUXDNQQJPRQ-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.11
Rot. Bonds3

About 3-(1-fluoroethyl)-7-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one

3-(1-fluoroethyl)-7-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 121273162) has the molecular formula C14H12F2N4O and a molecular weight of 290.27 g/mol. Its IUPAC name is 3-(1-fluoroethyl)-7-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name3-(1-fluoroethyl)-7-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID121273162
Molecular FormulaC14H12F2N4O
Molecular Weight290.27 g/mol
Exact Mass290.10
IUPAC Name3-(1-fluoroethyl)-7-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCC(F)c1nnc2c(=O)n(Cc3cccc(F)c3)ccn12
InChIInChI=1S/C14H12F2N4O/c1-9(15)12-17-18-13-14(21)19(5-6-20(12)13)8-10-3-2-4-11(16)7-10/h2-7,9H,8H2,1H3
InChIKeySLBOUXDNQQJPRQ-UHFFFAOYSA-N
XLogP2.11
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-[(3-fluorophenyl)methyl]pyridin-2-one
CID 62101796
3-chloro-1-[(3-fluorophenyl)methyl]pyrazin-2-one
CID 114561720
1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde
CID 96600000
1-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione
CID 7286781
1-[(3-fluorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione
CID 7286783
4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride
CID 22050881
3-(3-aminopyrrolidin-1-yl)-1-[(3-fluorophenyl)methyl]pyrazin-2-one
CID 102567348
3-[(3-fluorophenyl)methyl]-1,3-thiazol-2-one
CID 115646822
3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one
CID 95921531
(5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 94191065
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
2-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 27371178

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethyl)-7-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 3-(1-fluoroethyl)-7-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 121273162) is 3-(1-fluoroethyl)-7-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 3-(1-fluoroethyl)-7-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 3-(1-fluoroethyl)-7-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one is CC(F)c1nnc2c(=O)n(Cc3cccc(F)c3)ccn12.
What is the InChIKey of 3-(1-fluoroethyl)-7-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is SLBOUXDNQQJPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4O/c1-9(15)12-17-18-13-14(21)19(5-6-20(12)13)8-10-3-2-4-11(16)7-10/h2-7,9H,8H2,1H3.
What are the key properties of 3-(1-fluoroethyl)-7-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
3-(1-fluoroethyl)-7-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 290.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)-7-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 121273162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).