2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetic acid;hydrochloride

C11H15ClN8O2 — CID 68758619

IUPAC2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)Cn1nnc(-c2cnc(N3CCNCC3)cn2)n1
InChIInChI=1S/C11H14N8O2.ClH/c20-10(21)7-19-16-11(15-17-19)8-5-14-9(6-13-8)18-3-1-12-2-4-18;/h5-6,12H,1-4,7H2,(H,20,21);1H
InChIKeyOWXLDWLXKUCIOE-UHFFFAOYSA-N
MW326.75 g/mol
LogP-0.95
Rot. Bonds4

About 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetic acid;hydrochloride

2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetic acid;hydrochloride (PubChem CID 68758619) has the molecular formula C11H15ClN8O2 and a molecular weight of 326.75 g/mol. Its IUPAC name is 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetic acid;hydrochloride
PubChem CID68758619
Molecular FormulaC11H15ClN8O2
Molecular Weight326.75 g/mol
Exact Mass326.10
IUPAC Name2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)Cn1nnc(-c2cnc(N3CCNCC3)cn2)n1
InChIInChI=1S/C11H14N8O2.ClH/c20-10(21)7-19-16-11(15-17-19)8-5-14-9(6-13-8)18-3-1-12-2-4-18;/h5-6,12H,1-4,7H2,(H,20,21);1H
InChIKeyOWXLDWLXKUCIOE-UHFFFAOYSA-N
XLogP-0.95
TPSA121.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.75
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetic acid;hydrochloride (CID 68758619) is 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetic acid;hydrochloride is Cl.O=C(O)Cn1nnc(-c2cnc(N3CCNCC3)cn2)n1.
What is the InChIKey of 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetic acid;hydrochloride?
The InChIKey is OWXLDWLXKUCIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N8O2.ClH/c20-10(21)7-19-16-11(15-17-19)8-5-14-9(6-13-8)18-3-1-12-2-4-18;/h5-6,12H,1-4,7H2,(H,20,21);1H.
What are the key properties of 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetic acid;hydrochloride?
2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetic acid;hydrochloride has a molecular weight of 326.75 g/mol, XLogP of -0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-piperazin-1-ylpyrazin-2-yl)tetrazol-2-yl]acetic acid;hydrochloride is sourced from PubChem (CID 68758619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).