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

C16H20N4O2 — CID 146135054

IUPAC2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CCn2c(nnc2-c2ccccc2)C1
InChIInChI=1S/C16H20N4O2/c1-2-6-13(16(21)22)19-9-10-20-14(11-19)17-18-15(20)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,21,22)
InChIKeyUNEOMICYLGRZET-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.01
Rot. Bonds5

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

2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentanoic acid (PubChem CID 146135054) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentanoic acid.

Molecular Properties

Compound Name2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentanoic acid
PubChem CID146135054
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CCn2c(nnc2-c2ccccc2)C1
InChIInChI=1S/C16H20N4O2/c1-2-6-13(16(21)22)19-9-10-20-14(11-19)17-18-15(20)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,21,22)
InChIKeyUNEOMICYLGRZET-UHFFFAOYSA-N
XLogP2.01
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentanoic acid?
The IUPAC name of 2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentanoic acid (CID 146135054) is 2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentanoic acid.
What is the SMILES notation for 2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentanoic acid?
The canonical SMILES for 2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentanoic acid is CCCC(C(=O)O)N1CCn2c(nnc2-c2ccccc2)C1.
What is the InChIKey of 2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentanoic acid?
The InChIKey is UNEOMICYLGRZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-6-13(16(21)22)19-9-10-20-14(11-19)17-18-15(20)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,21,22).
What are the key properties of 2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentanoic acid?
2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentanoic acid has a molecular weight of 300.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentanoic acid is sourced from PubChem (CID 146135054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).