2-[[7-[(4-fluorophenyl)methyl]-8-oxo-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]-N-propan-2-ylacetamide

C17H20FN5O2S — CID 75271558

IUPAC2-[[7-[(4-fluorophenyl)methyl]-8-oxo-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSC1=NNC2C(=O)N(Cc3ccc(F)cc3)C=CN12
InChIInChI=1S/C17H20FN5O2S/c1-11(2)19-14(24)10-26-17-21-20-15-16(25)22(7-8-23(15)17)9-12-3-5-13(18)6-4-12/h3-8,11,15,20H,9-10H2,1-2H3,(H,19,24)
InChIKeyDJDJYXYWIIIEFH-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.40
Rot. Bonds5

About 2-[[7-[(4-fluorophenyl)methyl]-8-oxo-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]-N-propan-2-ylacetamide

2-[[7-[(4-fluorophenyl)methyl]-8-oxo-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]-N-propan-2-ylacetamide (PubChem CID 75271558) has the molecular formula C17H20FN5O2S and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[[7-[(4-fluorophenyl)methyl]-8-oxo-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[7-[(4-fluorophenyl)methyl]-8-oxo-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]-N-propan-2-ylacetamide
PubChem CID75271558
Molecular FormulaC17H20FN5O2S
Molecular Weight377.45 g/mol
Exact Mass377.13
IUPAC Name2-[[7-[(4-fluorophenyl)methyl]-8-oxo-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSC1=NNC2C(=O)N(Cc3ccc(F)cc3)C=CN12
InChIInChI=1S/C17H20FN5O2S/c1-11(2)19-14(24)10-26-17-21-20-15-16(25)22(7-8-23(15)17)9-12-3-5-13(18)6-4-12/h3-8,11,15,20H,9-10H2,1-2H3,(H,19,24)
InChIKeyDJDJYXYWIIIEFH-UHFFFAOYSA-N
XLogP1.40
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[7-[(4-fluorophenyl)methyl]-8-oxo-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]-N-propan-2-ylacetamide with MolForge

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Related Compounds

N-(2,5-difluorophenyl)-2-[[7-(3-methoxyphenyl)-8-oxo-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]acetamide
CID 75552071
2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide
CID 43814540
3-[(4-chlorophenyl)methylsulfanyl]-7-(3-fluorophenyl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 75551837
2-[bis(4-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 34233996
N-(2-chloro-4-methylphenyl)-2-[[7-(2-methoxyphenyl)-8-oxo-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]acetamide
CID 75551646
7-(4-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 75551802
2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide
CID 7256920
2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide
CID 50755241
1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 46705210
2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanyl-N-propan-2-ylacetamide
CID 114234861
methyl 2-[[2-[[11-(4-fluorophenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]sulfanyl]acetyl]amino]benzoate
CID 53038642
3-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122066411

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[(4-fluorophenyl)methyl]-8-oxo-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[7-[(4-fluorophenyl)methyl]-8-oxo-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]-N-propan-2-ylacetamide (CID 75271558) is 2-[[7-[(4-fluorophenyl)methyl]-8-oxo-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[7-[(4-fluorophenyl)methyl]-8-oxo-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[7-[(4-fluorophenyl)methyl]-8-oxo-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]-N-propan-2-ylacetamide is CC(C)NC(=O)CSC1=NNC2C(=O)N(Cc3ccc(F)cc3)C=CN12.
What is the InChIKey of 2-[[7-[(4-fluorophenyl)methyl]-8-oxo-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]-N-propan-2-ylacetamide?
The InChIKey is DJDJYXYWIIIEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2S/c1-11(2)19-14(24)10-26-17-21-20-15-16(25)22(7-8-23(15)17)9-12-3-5-13(18)6-4-12/h3-8,11,15,20H,9-10H2,1-2H3,(H,19,24).
What are the key properties of 2-[[7-[(4-fluorophenyl)methyl]-8-oxo-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]-N-propan-2-ylacetamide?
2-[[7-[(4-fluorophenyl)methyl]-8-oxo-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]-N-propan-2-ylacetamide has a molecular weight of 377.45 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[(4-fluorophenyl)methyl]-8-oxo-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 75271558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).