2-[5-[5-(4-benzoylpiperazin-1-yl)pyrazin-2-yl]tetrazol-2-yl]acetic acid

C18H18N8O3 — CID 58539828

IUPAC2-[5-[5-(4-benzoylpiperazin-1-yl)pyrazin-2-yl]tetrazol-2-yl]acetic acid
SMILESO=C(O)Cn1nnc(-c2cnc(N3CCN(C(=O)c4ccccc4)CC3)cn2)n1
InChIInChI=1S/C18H18N8O3/c27-16(28)12-26-22-17(21-23-26)14-10-20-15(11-19-14)24-6-8-25(9-7-24)18(29)13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,27,28)
InChIKeyMEZRAOFHYGOGOO-UHFFFAOYSA-N
MW394.40 g/mol
LogP0.18
Rot. Bonds5

About 2-[5-[5-(4-benzoylpiperazin-1-yl)pyrazin-2-yl]tetrazol-2-yl]acetic acid

2-[5-[5-(4-benzoylpiperazin-1-yl)pyrazin-2-yl]tetrazol-2-yl]acetic acid (PubChem CID 58539828) has the molecular formula C18H18N8O3 and a molecular weight of 394.40 g/mol. Its IUPAC name is 2-[5-[5-(4-benzoylpiperazin-1-yl)pyrazin-2-yl]tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[5-(4-benzoylpiperazin-1-yl)pyrazin-2-yl]tetrazol-2-yl]acetic acid
PubChem CID58539828
Molecular FormulaC18H18N8O3
Molecular Weight394.40 g/mol
Exact Mass394.15
IUPAC Name2-[5-[5-(4-benzoylpiperazin-1-yl)pyrazin-2-yl]tetrazol-2-yl]acetic acid
SMILESO=C(O)Cn1nnc(-c2cnc(N3CCN(C(=O)c4ccccc4)CC3)cn2)n1
InChIInChI=1S/C18H18N8O3/c27-16(28)12-26-22-17(21-23-26)14-10-20-15(11-19-14)24-6-8-25(9-7-24)18(29)13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,27,28)
InChIKeyMEZRAOFHYGOGOO-UHFFFAOYSA-N
XLogP0.18
TPSA130.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[5-[5-[4-(2-bromo-5-chlorobenzoyl)piperazin-1-yl]pyrazin-2-yl]tetrazol-2-yl]acetic acid
CID 58539817
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone
CID 122279226
6-(4-benzoylpiperazin-1-yl)-N,N-diethylpyridine-3-sulfonamide
CID 4878483
ethyl 6-(4-benzoyl-1,4-diazepan-1-yl)pyridine-3-carboxylate
CID 36730820
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone
CID 43461867
phenyl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145824
(4-bromophenyl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516583
(4-phenylpiperazin-1-yl)-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
CID 91952840
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
6-[4-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 167784135
pyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058477

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(4-benzoylpiperazin-1-yl)pyrazin-2-yl]tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[5-(4-benzoylpiperazin-1-yl)pyrazin-2-yl]tetrazol-2-yl]acetic acid (CID 58539828) is 2-[5-[5-(4-benzoylpiperazin-1-yl)pyrazin-2-yl]tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[5-(4-benzoylpiperazin-1-yl)pyrazin-2-yl]tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[5-(4-benzoylpiperazin-1-yl)pyrazin-2-yl]tetrazol-2-yl]acetic acid is O=C(O)Cn1nnc(-c2cnc(N3CCN(C(=O)c4ccccc4)CC3)cn2)n1.
What is the InChIKey of 2-[5-[5-(4-benzoylpiperazin-1-yl)pyrazin-2-yl]tetrazol-2-yl]acetic acid?
The InChIKey is MEZRAOFHYGOGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O3/c27-16(28)12-26-22-17(21-23-26)14-10-20-15(11-19-14)24-6-8-25(9-7-24)18(29)13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,27,28).
What are the key properties of 2-[5-[5-(4-benzoylpiperazin-1-yl)pyrazin-2-yl]tetrazol-2-yl]acetic acid?
2-[5-[5-(4-benzoylpiperazin-1-yl)pyrazin-2-yl]tetrazol-2-yl]acetic acid has a molecular weight of 394.40 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(4-benzoylpiperazin-1-yl)pyrazin-2-yl]tetrazol-2-yl]acetic acid is sourced from PubChem (CID 58539828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).