2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

C17H16F3N5O3 — CID 148512747

IUPAC2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESCc1nccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)nc12
InChIInChI=1S/C17H16F3N5O3/c1-10(12-3-5-13(6-4-12)28-17(18,19)20)22-14(26)9-25-16(27)24-8-7-21-11(2)15(24)23-25/h3-8,10H,9H2,1-2H3,(H,22,26)/t10-/m0/s1
InChIKeyMMVCBZXGUJZXBU-JTQLQIEISA-N
MW395.34 g/mol
LogP1.98
Rot. Bonds5

About 2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (PubChem CID 148512747) has the molecular formula C17H16F3N5O3 and a molecular weight of 395.34 g/mol. Its IUPAC name is 2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
PubChem CID148512747
Molecular FormulaC17H16F3N5O3
Molecular Weight395.34 g/mol
Exact Mass395.12
IUPAC Name2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESCc1nccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)nc12
InChIInChI=1S/C17H16F3N5O3/c1-10(12-3-5-13(6-4-12)28-17(18,19)20)22-14(26)9-25-16(27)24-8-7-21-11(2)15(24)23-25/h3-8,10H,9H2,1-2H3,(H,22,26)/t10-/m0/s1
InChIKeyMMVCBZXGUJZXBU-JTQLQIEISA-N
XLogP1.98
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (CID 148512747) is 2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is Cc1nccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)nc12.
What is the InChIKey of 2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The InChIKey is MMVCBZXGUJZXBU-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16F3N5O3/c1-10(12-3-5-13(6-4-12)28-17(18,19)20)22-14(26)9-25-16(27)24-8-7-21-11(2)15(24)23-25/h3-8,10H,9H2,1-2H3,(H,22,26)/t10-/m0/s1.
What are the key properties of 2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide has a molecular weight of 395.34 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 148512747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).