4-(1-phenyltetrazol-5-yl)piperazin-2-one

C11H12N6O — CID 2540535

IUPAC4-(1-phenyltetrazol-5-yl)piperazin-2-one
SMILESO=C1CN(c2nnnn2-c2ccccc2)CCN1
InChIInChI=1S/C11H12N6O/c18-10-8-16(7-6-12-10)11-13-14-15-17(11)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,18)
InChIKeyBAIZUMZGEJSDSM-UHFFFAOYSA-N
MW244.26 g/mol
LogP-0.40
Rot. Bonds2

About 4-(1-phenyltetrazol-5-yl)piperazin-2-one

4-(1-phenyltetrazol-5-yl)piperazin-2-one (PubChem CID 2540535) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 4-(1-phenyltetrazol-5-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(1-phenyltetrazol-5-yl)piperazin-2-one
PubChem CID2540535
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name4-(1-phenyltetrazol-5-yl)piperazin-2-one
SMILESO=C1CN(c2nnnn2-c2ccccc2)CCN1
InChIInChI=1S/C11H12N6O/c18-10-8-16(7-6-12-10)11-13-14-15-17(11)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,18)
InChIKeyBAIZUMZGEJSDSM-UHFFFAOYSA-N
XLogP-0.40
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenyltetrazol-5-yl)piperazin-2-one?
The IUPAC name of 4-(1-phenyltetrazol-5-yl)piperazin-2-one (CID 2540535) is 4-(1-phenyltetrazol-5-yl)piperazin-2-one.
What is the SMILES notation for 4-(1-phenyltetrazol-5-yl)piperazin-2-one?
The canonical SMILES for 4-(1-phenyltetrazol-5-yl)piperazin-2-one is O=C1CN(c2nnnn2-c2ccccc2)CCN1.
What is the InChIKey of 4-(1-phenyltetrazol-5-yl)piperazin-2-one?
The InChIKey is BAIZUMZGEJSDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c18-10-8-16(7-6-12-10)11-13-14-15-17(11)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,18).
What are the key properties of 4-(1-phenyltetrazol-5-yl)piperazin-2-one?
4-(1-phenyltetrazol-5-yl)piperazin-2-one has a molecular weight of 244.26 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenyltetrazol-5-yl)piperazin-2-one is sourced from PubChem (CID 2540535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).