ethyl 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetate

C13H18N8O2 — CID 58539736

IUPACethyl 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetate
SMILESCCOC(=O)Cn1nnc(-c2cnc(N3CCNCC3)cn2)n1
InChIInChI=1S/C13H18N8O2/c1-2-23-12(22)9-21-18-13(17-19-21)10-7-16-11(8-15-10)20-5-3-14-4-6-20/h7-8,14H,2-6,9H2,1H3
InChIKeyCRJHTYODCPIGIQ-UHFFFAOYSA-N
MW318.34 g/mol
LogP-0.90
Rot. Bonds5

About ethyl 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetate

ethyl 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetate (PubChem CID 58539736) has the molecular formula C13H18N8O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is ethyl 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetate
PubChem CID58539736
Molecular FormulaC13H18N8O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Nameethyl 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetate
SMILESCCOC(=O)Cn1nnc(-c2cnc(N3CCNCC3)cn2)n1
InChIInChI=1S/C13H18N8O2/c1-2-23-12(22)9-21-18-13(17-19-21)10-7-16-11(8-15-10)20-5-3-14-4-6-20/h7-8,14H,2-6,9H2,1H3
InChIKeyCRJHTYODCPIGIQ-UHFFFAOYSA-N
XLogP-0.90
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetate?
The IUPAC name of ethyl 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetate (CID 58539736) is ethyl 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetate is CCOC(=O)Cn1nnc(-c2cnc(N3CCNCC3)cn2)n1.
What is the InChIKey of ethyl 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetate?
The InChIKey is CRJHTYODCPIGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N8O2/c1-2-23-12(22)9-21-18-13(17-19-21)10-7-16-11(8-15-10)20-5-3-14-4-6-20/h7-8,14H,2-6,9H2,1H3.
What are the key properties of ethyl 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetate?
ethyl 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetate has a molecular weight of 318.34 g/mol, XLogP of -0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetate is sourced from PubChem (CID 58539736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).