3-amino-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one

C15H19N5O — CID 119898835

IUPAC3-amino-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one
SMILESCC(N)CC(=O)N1CCn2c(nnc2-c2ccccc2)C1
InChIInChI=1S/C15H19N5O/c1-11(16)9-14(21)19-7-8-20-13(10-19)17-18-15(20)12-5-3-2-4-6-12/h2-6,11H,7-10,16H2,1H3
InChIKeyFUPJRKACKZOEKH-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.02
Rot. Bonds3

About 3-amino-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one

3-amino-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one (PubChem CID 119898835) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-amino-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one
PubChem CID119898835
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-amino-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one
SMILESCC(N)CC(=O)N1CCn2c(nnc2-c2ccccc2)C1
InChIInChI=1S/C15H19N5O/c1-11(16)9-14(21)19-7-8-20-13(10-19)17-18-15(20)12-5-3-2-4-6-12/h2-6,11H,7-10,16H2,1H3
InChIKeyFUPJRKACKZOEKH-UHFFFAOYSA-N
XLogP1.02
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one?
The IUPAC name of 3-amino-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one (CID 119898835) is 3-amino-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one.
What is the SMILES notation for 3-amino-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one?
The canonical SMILES for 3-amino-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one is CC(N)CC(=O)N1CCn2c(nnc2-c2ccccc2)C1.
What is the InChIKey of 3-amino-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one?
The InChIKey is FUPJRKACKZOEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11(16)9-14(21)19-7-8-20-13(10-19)17-18-15(20)12-5-3-2-4-6-12/h2-6,11H,7-10,16H2,1H3.
What are the key properties of 3-amino-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one?
3-amino-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one has a molecular weight of 285.35 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one is sourced from PubChem (CID 119898835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).