1-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one

C14H18N6O2S — CID 56799533

IUPAC1-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one
SMILESO=C(Cn1nnn(-c2cccs2)c1=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C14H18N6O2S/c21-12(18-7-5-17(6-8-18)11-3-4-11)10-19-14(22)20(16-15-19)13-2-1-9-23-13/h1-2,9,11H,3-8,10H2
InChIKeyRZTRIEZXLACJMF-UHFFFAOYSA-N
MW334.41 g/mol
LogP-0.20
Rot. Bonds4

About 1-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one

1-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one (PubChem CID 56799533) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is 1-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one.

Molecular Properties

Compound Name1-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one
PubChem CID56799533
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC Name1-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one
SMILESO=C(Cn1nnn(-c2cccs2)c1=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C14H18N6O2S/c21-12(18-7-5-17(6-8-18)11-3-4-11)10-19-14(22)20(16-15-19)13-2-1-9-23-13/h1-2,9,11H,3-8,10H2
InChIKeyRZTRIEZXLACJMF-UHFFFAOYSA-N
XLogP-0.20
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one?
The IUPAC name of 1-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one (CID 56799533) is 1-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one.
What is the SMILES notation for 1-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one?
The canonical SMILES for 1-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one is O=C(Cn1nnn(-c2cccs2)c1=O)N1CCN(C2CC2)CC1.
What is the InChIKey of 1-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one?
The InChIKey is RZTRIEZXLACJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2S/c21-12(18-7-5-17(6-8-18)11-3-4-11)10-19-14(22)20(16-15-19)13-2-1-9-23-13/h1-2,9,11H,3-8,10H2.
What are the key properties of 1-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one?
1-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one has a molecular weight of 334.41 g/mol, XLogP of -0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one is sourced from PubChem (CID 56799533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).