N-[4-[7-(4-fluorobenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide

C20H18FN5O2 — CID 134803473

IUPACN-[4-[7-(4-fluorobenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)cc1
InChIInChI=1S/C20H18FN5O2/c1-13(27)22-17-8-4-14(5-9-17)19-24-23-18-12-25(10-11-26(18)19)20(28)15-2-6-16(21)7-3-15/h2-9H,10-12H2,1H3,(H,22,27)
InChIKeyIMQWSKHCDNUNTB-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.70
Rot. Bonds3

About N-[4-[7-(4-fluorobenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide

N-[4-[7-(4-fluorobenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide (PubChem CID 134803473) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is N-[4-[7-(4-fluorobenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[7-(4-fluorobenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide
PubChem CID134803473
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC NameN-[4-[7-(4-fluorobenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)cc1
InChIInChI=1S/C20H18FN5O2/c1-13(27)22-17-8-4-14(5-9-17)19-24-23-18-12-25(10-11-26(18)19)20(28)15-2-6-16(21)7-3-15/h2-9H,10-12H2,1H3,(H,22,27)
InChIKeyIMQWSKHCDNUNTB-UHFFFAOYSA-N
XLogP2.70
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[7-(4-methoxybenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide
CID 134801583
[3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methylphenyl)methanone
CID 134787718
(4-fluorophenyl)-[3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 67450682
N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 71822640
N-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 134795446
N-[4-(4-fluorophenyl)phenyl]acetamide
CID 9812
N-(4-chlorophenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 134791783
(2-chloro-4-fluorophenyl)-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 66598982
[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]urea
CID 46697484
(3-fluorophenyl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 53015177
N-(4-fluorophenyl)acetamide;N-(4-methylphenyl)acetamide
CID 158705281
(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-thiophen-3-ylmethanone
CID 53193528

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(4-fluorobenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[7-(4-fluorobenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide (CID 134803473) is N-[4-[7-(4-fluorobenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[7-(4-fluorobenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[7-(4-fluorobenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)cc1.
What is the InChIKey of N-[4-[7-(4-fluorobenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide?
The InChIKey is IMQWSKHCDNUNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-13(27)22-17-8-4-14(5-9-17)19-24-23-18-12-25(10-11-26(18)19)20(28)15-2-6-16(21)7-3-15/h2-9H,10-12H2,1H3,(H,22,27).
What are the key properties of N-[4-[7-(4-fluorobenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide?
N-[4-[7-(4-fluorobenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide has a molecular weight of 379.40 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-(4-fluorobenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 134803473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).