1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone

C13H16N6O — CID 2549799

IUPAC1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C13H16N6O/c1-11(20)17-7-9-18(10-8-17)13-14-15-16-19(13)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
InChIKeyJBXPNBGNHIUFLT-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.33
Rot. Bonds2

About 1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone

1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone (PubChem CID 2549799) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone
PubChem CID2549799
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C13H16N6O/c1-11(20)17-7-9-18(10-8-17)13-14-15-16-19(13)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
InChIKeyJBXPNBGNHIUFLT-UHFFFAOYSA-N
XLogP0.33
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone (CID 2549799) is 1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone?
The InChIKey is JBXPNBGNHIUFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-11(20)17-7-9-18(10-8-17)13-14-15-16-19(13)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3.
What are the key properties of 1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone?
1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone has a molecular weight of 272.31 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 2549799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).