[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone

C17H24N6O2 — CID 3208558

IUPAC[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C17H24N6O2/c24-17(15-7-4-12-25-15)22-10-8-21(9-11-22)13-16-18-19-20-23(16)14-5-2-1-3-6-14/h4,7,12,14H,1-3,5-6,8-11,13H2
InChIKeyQIUSDTZPWWUYBE-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.73
Rot. Bonds4

About [4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 3208558) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is [4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID3208558
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C17H24N6O2/c24-17(15-7-4-12-25-15)22-10-8-21(9-11-22)13-16-18-19-20-23(16)14-5-2-1-3-6-14/h4,7,12,14H,1-3,5-6,8-11,13H2
InChIKeyQIUSDTZPWWUYBE-UHFFFAOYSA-N
XLogP1.73
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 3208558) is [4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(Cc2nnnn2C2CCCCC2)CC1.
What is the InChIKey of [4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is QIUSDTZPWWUYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c24-17(15-7-4-12-25-15)22-10-8-21(9-11-22)13-16-18-19-20-23(16)14-5-2-1-3-6-14/h4,7,12,14H,1-3,5-6,8-11,13H2.
What are the key properties of [4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 344.42 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 3208558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).