1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine

C17H26N6O — CID 3210043

IUPAC1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(C(CCC)c2nnnn2Cc2ccco2)CC1
InChIInChI=1S/C17H26N6O/c1-3-6-16(22-11-9-21(8-4-2)10-12-22)17-18-19-20-23(17)14-15-7-5-13-24-15/h4-5,7,13,16H,2-3,6,8-12,14H2,1H3
InChIKeySJUQYWQGOGBRMV-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.96
Rot. Bonds8

About 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine

1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine (PubChem CID 3210043) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine
PubChem CID3210043
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(C(CCC)c2nnnn2Cc2ccco2)CC1
InChIInChI=1S/C17H26N6O/c1-3-6-16(22-11-9-21(8-4-2)10-12-22)17-18-19-20-23(17)14-15-7-5-13-24-15/h4-5,7,13,16H,2-3,6,8-12,14H2,1H3
InChIKeySJUQYWQGOGBRMV-UHFFFAOYSA-N
XLogP1.96
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine?
The IUPAC name of 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine (CID 3210043) is 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine.
What is the SMILES notation for 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine?
The canonical SMILES for 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine is C=CCN1CCN(C(CCC)c2nnnn2Cc2ccco2)CC1.
What is the InChIKey of 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine?
The InChIKey is SJUQYWQGOGBRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-3-6-16(22-11-9-21(8-4-2)10-12-22)17-18-19-20-23(17)14-15-7-5-13-24-15/h4-5,7,13,16H,2-3,6,8-12,14H2,1H3.
What are the key properties of 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine?
1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine has a molecular weight of 330.44 g/mol, XLogP of 1.96, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine is sourced from PubChem (CID 3210043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).