furan-2-yl-[4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone;hydrochloride

C16H25ClN6O2 — CID 24761983

IUPACfuran-2-yl-[4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone;hydrochloride
SMILESCC(C)CCn1nnnc1CN1CCN(C(=O)c2ccco2)CC1.Cl
InChIInChI=1S/C16H24N6O2.ClH/c1-13(2)5-6-22-15(17-18-19-22)12-20-7-9-21(10-8-20)16(23)14-4-3-11-24-14;/h3-4,11,13H,5-10,12H2,1-2H3;1H
InChIKeyWEYYPHUAPDFCQF-UHFFFAOYSA-N
MW368.87 g/mol
LogP1.69
Rot. Bonds6

About furan-2-yl-[4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone;hydrochloride

furan-2-yl-[4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone;hydrochloride (PubChem CID 24761983) has the molecular formula C16H25ClN6O2 and a molecular weight of 368.87 g/mol. Its IUPAC name is furan-2-yl-[4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namefuran-2-yl-[4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone;hydrochloride
PubChem CID24761983
Molecular FormulaC16H25ClN6O2
Molecular Weight368.87 g/mol
Exact Mass368.17
IUPAC Namefuran-2-yl-[4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone;hydrochloride
SMILESCC(C)CCn1nnnc1CN1CCN(C(=O)c2ccco2)CC1.Cl
InChIInChI=1S/C16H24N6O2.ClH/c1-13(2)5-6-22-15(17-18-19-22)12-20-7-9-21(10-8-20)16(23)14-4-3-11-24-14;/h3-4,11,13H,5-10,12H2,1-2H3;1H
InChIKeyWEYYPHUAPDFCQF-UHFFFAOYSA-N
XLogP1.69
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of furan-2-yl-[4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone;hydrochloride (CID 24761983) is furan-2-yl-[4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for furan-2-yl-[4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for furan-2-yl-[4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone;hydrochloride is CC(C)CCn1nnnc1CN1CCN(C(=O)c2ccco2)CC1.Cl.
What is the InChIKey of furan-2-yl-[4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone;hydrochloride?
The InChIKey is WEYYPHUAPDFCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2.ClH/c1-13(2)5-6-22-15(17-18-19-22)12-20-7-9-21(10-8-20)16(23)14-4-3-11-24-14;/h3-4,11,13H,5-10,12H2,1-2H3;1H.
What are the key properties of furan-2-yl-[4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone;hydrochloride?
furan-2-yl-[4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone;hydrochloride has a molecular weight of 368.87 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 24761983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).