1-(4-pyrazin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one

C13H17N7O — CID 71897680

IUPAC1-(4-pyrazin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC(C(=O)N1CCN(c2cnccn2)CC1)n1cncn1
InChIInChI=1S/C13H17N7O/c1-11(20-10-15-9-17-20)13(21)19-6-4-18(5-7-19)12-8-14-2-3-16-12/h2-3,8-11H,4-7H2,1H3
InChIKeyLOTKZEOLQBNWLJ-UHFFFAOYSA-N
MW287.33 g/mol
LogP-0.02
Rot. Bonds3

About 1-(4-pyrazin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one

1-(4-pyrazin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 71897680) has the molecular formula C13H17N7O and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-(4-pyrazin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-pyrazin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID71897680
Molecular FormulaC13H17N7O
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name1-(4-pyrazin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC(C(=O)N1CCN(c2cnccn2)CC1)n1cncn1
InChIInChI=1S/C13H17N7O/c1-11(20-10-15-9-17-20)13(21)19-6-4-18(5-7-19)12-8-14-2-3-16-12/h2-3,8-11H,4-7H2,1H3
InChIKeyLOTKZEOLQBNWLJ-UHFFFAOYSA-N
XLogP-0.02
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrazin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 1-(4-pyrazin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one (CID 71897680) is 1-(4-pyrazin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-pyrazin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 1-(4-pyrazin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one is CC(C(=O)N1CCN(c2cnccn2)CC1)n1cncn1.
What is the InChIKey of 1-(4-pyrazin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is LOTKZEOLQBNWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O/c1-11(20-10-15-9-17-20)13(21)19-6-4-18(5-7-19)12-8-14-2-3-16-12/h2-3,8-11H,4-7H2,1H3.
What are the key properties of 1-(4-pyrazin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one?
1-(4-pyrazin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 287.33 g/mol, XLogP of -0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrazin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 71897680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).