1-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]propan-2-one

C12H16N8O — CID 58539936

IUPAC1-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]propan-2-one
SMILESCC(=O)Cn1nnc(-c2cnc(N3CCNCC3)cn2)n1
InChIInChI=1S/C12H16N8O/c1-9(21)8-20-17-12(16-18-20)10-6-15-11(7-14-10)19-4-2-13-3-5-19/h6-7,13H,2-5,8H2,1H3
InChIKeyWUVDHNWSPYQTNW-UHFFFAOYSA-N
MW288.32 g/mol
LogP-0.87
Rot. Bonds4

About 1-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]propan-2-one

1-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]propan-2-one (PubChem CID 58539936) has the molecular formula C12H16N8O and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]propan-2-one
PubChem CID58539936
Molecular FormulaC12H16N8O
Molecular Weight288.32 g/mol
Exact Mass288.14
IUPAC Name1-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]propan-2-one
SMILESCC(=O)Cn1nnc(-c2cnc(N3CCNCC3)cn2)n1
InChIInChI=1S/C12H16N8O/c1-9(21)8-20-17-12(16-18-20)10-6-15-11(7-14-10)19-4-2-13-3-5-19/h6-7,13H,2-5,8H2,1H3
InChIKeyWUVDHNWSPYQTNW-UHFFFAOYSA-N
XLogP-0.87
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]propan-2-one?
The IUPAC name of 1-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]propan-2-one (CID 58539936) is 1-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]propan-2-one.
What is the SMILES notation for 1-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]propan-2-one?
The canonical SMILES for 1-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]propan-2-one is CC(=O)Cn1nnc(-c2cnc(N3CCNCC3)cn2)n1.
What is the InChIKey of 1-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]propan-2-one?
The InChIKey is WUVDHNWSPYQTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N8O/c1-9(21)8-20-17-12(16-18-20)10-6-15-11(7-14-10)19-4-2-13-3-5-19/h6-7,13H,2-5,8H2,1H3.
What are the key properties of 1-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]propan-2-one?
1-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]propan-2-one has a molecular weight of 288.32 g/mol, XLogP of -0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]propan-2-one is sourced from PubChem (CID 58539936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).