1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

C9H16N6O2 — CID 19579826

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCN(CCO)CC1
InChIInChI=1S/C9H16N6O2/c16-6-5-13-1-3-14(4-2-13)9(17)7-15-8-10-11-12-15/h8,16H,1-7H2
InChIKeyJZSHNGKWTRVPEL-UHFFFAOYSA-N
MW240.27 g/mol
LogP-2.19
Rot. Bonds4

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 19579826) has the molecular formula C9H16N6O2 and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID19579826
Molecular FormulaC9H16N6O2
Molecular Weight240.27 g/mol
Exact Mass240.13
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCN(CCO)CC1
InChIInChI=1S/C9H16N6O2/c16-6-5-13-1-3-14(4-2-13)9(17)7-15-8-10-11-12-15/h8,16H,1-7H2
InChIKeyJZSHNGKWTRVPEL-UHFFFAOYSA-N
XLogP-2.19
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 5-2.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 19579826) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is O=C(Cn1cnnn1)N1CCN(CCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is JZSHNGKWTRVPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O2/c16-6-5-13-1-3-14(4-2-13)9(17)7-15-8-10-11-12-15/h8,16H,1-7H2.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 240.27 g/mol, XLogP of -2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 19579826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).