1-[furan-2-yl(2H-tetrazol-5-yl)methyl]piperazine

C10H14N6O — CID 82290595

IUPAC1-[furan-2-yl(2H-tetrazol-5-yl)methyl]piperazine
SMILESc1coc(C(c2nn[nH]n2)N2CCNCC2)c1
InChIInChI=1S/C10H14N6O/c1-2-8(17-7-1)9(10-12-14-15-13-10)16-5-3-11-4-6-16/h1-2,7,9,11H,3-6H2,(H,12,13,14,15)
InChIKeyKBPDXAHBIUENBD-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.21
Rot. Bonds3

About 1-[furan-2-yl(2H-tetrazol-5-yl)methyl]piperazine

1-[furan-2-yl(2H-tetrazol-5-yl)methyl]piperazine (PubChem CID 82290595) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-[furan-2-yl(2H-tetrazol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[furan-2-yl(2H-tetrazol-5-yl)methyl]piperazine
PubChem CID82290595
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name1-[furan-2-yl(2H-tetrazol-5-yl)methyl]piperazine
SMILESc1coc(C(c2nn[nH]n2)N2CCNCC2)c1
InChIInChI=1S/C10H14N6O/c1-2-8(17-7-1)9(10-12-14-15-13-10)16-5-3-11-4-6-16/h1-2,7,9,11H,3-6H2,(H,12,13,14,15)
InChIKeyKBPDXAHBIUENBD-UHFFFAOYSA-N
XLogP-0.21
TPSA82.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171177233
1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171176421
1-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171179378
1-[(R)-(2-bromo-6-fluorophenyl)-(furan-2-yl)methyl]piperazine
CID 171179162
1-[(R)-furan-2-yl-(2,3,5-trifluorophenyl)methyl]piperazine
CID 171179613
1-[(S)-(3,6-dichloro-2-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171178008
1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine
CID 171176466
2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol
CID 171175036
1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763713
1-[(S)-[2-(difluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine
CID 171177505
1-[(R)-furan-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171180697
1-[(R)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine
CID 171178743

Frequently Asked Questions

What is the IUPAC name of 1-[furan-2-yl(2H-tetrazol-5-yl)methyl]piperazine?
The IUPAC name of 1-[furan-2-yl(2H-tetrazol-5-yl)methyl]piperazine (CID 82290595) is 1-[furan-2-yl(2H-tetrazol-5-yl)methyl]piperazine.
What is the SMILES notation for 1-[furan-2-yl(2H-tetrazol-5-yl)methyl]piperazine?
The canonical SMILES for 1-[furan-2-yl(2H-tetrazol-5-yl)methyl]piperazine is c1coc(C(c2nn[nH]n2)N2CCNCC2)c1.
What is the InChIKey of 1-[furan-2-yl(2H-tetrazol-5-yl)methyl]piperazine?
The InChIKey is KBPDXAHBIUENBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-2-8(17-7-1)9(10-12-14-15-13-10)16-5-3-11-4-6-16/h1-2,7,9,11H,3-6H2,(H,12,13,14,15).
What are the key properties of 1-[furan-2-yl(2H-tetrazol-5-yl)methyl]piperazine?
1-[furan-2-yl(2H-tetrazol-5-yl)methyl]piperazine has a molecular weight of 234.26 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[furan-2-yl(2H-tetrazol-5-yl)methyl]piperazine is sourced from PubChem (CID 82290595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).