1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazol-5-amine

C14H14FN5O — CID 4726899

IUPAC1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazol-5-amine
SMILESCCn1nnnc1NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C14H14FN5O/c1-2-20-14(17-18-19-20)16-9-12-7-8-13(21-12)10-3-5-11(15)6-4-10/h3-8H,2,9H2,1H3,(H,16,17,19)
InChIKeyLGBDEUDKIATAET-UHFFFAOYSA-N
MW287.30 g/mol
LogP2.70
Rot. Bonds5

About 1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazol-5-amine

1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazol-5-amine (PubChem CID 4726899) has the molecular formula C14H14FN5O and a molecular weight of 287.30 g/mol. Its IUPAC name is 1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazol-5-amine
PubChem CID4726899
Molecular FormulaC14H14FN5O
Molecular Weight287.30 g/mol
Exact Mass287.12
IUPAC Name1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazol-5-amine
SMILESCCn1nnnc1NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C14H14FN5O/c1-2-20-14(17-18-19-20)16-9-12-7-8-13(21-12)10-3-5-11(15)6-4-10/h3-8H,2,9H2,1H3,(H,16,17,19)
InChIKeyLGBDEUDKIATAET-UHFFFAOYSA-N
XLogP2.70
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazol-5-amine?
The IUPAC name of 1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazol-5-amine (CID 4726899) is 1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazol-5-amine.
What is the SMILES notation for 1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazol-5-amine?
The canonical SMILES for 1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazol-5-amine is CCn1nnnc1NCc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazol-5-amine?
The InChIKey is LGBDEUDKIATAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O/c1-2-20-14(17-18-19-20)16-9-12-7-8-13(21-12)10-3-5-11(15)6-4-10/h3-8H,2,9H2,1H3,(H,16,17,19).
What are the key properties of 1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazol-5-amine?
1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazol-5-amine has a molecular weight of 287.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazol-5-amine is sourced from PubChem (CID 4726899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).