5-bromo-N-(2-ethyltetrazol-5-yl)furan-2-carboxamide

C8H8BrN5O2 — CID 972620

IUPAC5-bromo-N-(2-ethyltetrazol-5-yl)furan-2-carboxamide
SMILESCCn1nnc(NC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C8H8BrN5O2/c1-2-14-12-8(11-13-14)10-7(15)5-3-4-6(9)16-5/h3-4H,2H2,1H3,(H,10,12,15)
InChIKeyMOULPPMPQMKHSX-UHFFFAOYSA-N
MW286.09 g/mol
LogP1.30
Rot. Bonds3

About 5-bromo-N-(2-ethyltetrazol-5-yl)furan-2-carboxamide

5-bromo-N-(2-ethyltetrazol-5-yl)furan-2-carboxamide (PubChem CID 972620) has the molecular formula C8H8BrN5O2 and a molecular weight of 286.09 g/mol. Its IUPAC name is 5-bromo-N-(2-ethyltetrazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-ethyltetrazol-5-yl)furan-2-carboxamide
PubChem CID972620
Molecular FormulaC8H8BrN5O2
Molecular Weight286.09 g/mol
Exact Mass284.99
IUPAC Name5-bromo-N-(2-ethyltetrazol-5-yl)furan-2-carboxamide
SMILESCCn1nnc(NC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C8H8BrN5O2/c1-2-14-12-8(11-13-14)10-7(15)5-3-4-6(9)16-5/h3-4H,2H2,1H3,(H,10,12,15)
InChIKeyMOULPPMPQMKHSX-UHFFFAOYSA-N
XLogP1.30
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.09
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethyltetrazol-5-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-ethyltetrazol-5-yl)furan-2-carboxamide (CID 972620) is 5-bromo-N-(2-ethyltetrazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-ethyltetrazol-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-ethyltetrazol-5-yl)furan-2-carboxamide is CCn1nnc(NC(=O)c2ccc(Br)o2)n1.
What is the InChIKey of 5-bromo-N-(2-ethyltetrazol-5-yl)furan-2-carboxamide?
The InChIKey is MOULPPMPQMKHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5O2/c1-2-14-12-8(11-13-14)10-7(15)5-3-4-6(9)16-5/h3-4H,2H2,1H3,(H,10,12,15).
What are the key properties of 5-bromo-N-(2-ethyltetrazol-5-yl)furan-2-carboxamide?
5-bromo-N-(2-ethyltetrazol-5-yl)furan-2-carboxamide has a molecular weight of 286.09 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethyltetrazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 972620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).