1-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazole-1,5-diamine

C12H11FN6O — CID 2996479

IUPAC1-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazole-1,5-diamine
SMILESNc1nnnn1NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C12H11FN6O/c13-9-3-1-8(2-4-9)11-6-5-10(20-11)7-15-19-12(14)16-17-18-19/h1-6,15H,7H2,(H2,14,16,18)
InChIKeySVDAYRKKDQZYJF-UHFFFAOYSA-N
MW274.26 g/mol
LogP1.40
Rot. Bonds4

About 1-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazole-1,5-diamine

1-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazole-1,5-diamine (PubChem CID 2996479) has the molecular formula C12H11FN6O and a molecular weight of 274.26 g/mol. Its IUPAC name is 1-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazole-1,5-diamine
PubChem CID2996479
Molecular FormulaC12H11FN6O
Molecular Weight274.26 g/mol
Exact Mass274.10
IUPAC Name1-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazole-1,5-diamine
SMILESNc1nnnn1NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C12H11FN6O/c13-9-3-1-8(2-4-9)11-6-5-10(20-11)7-15-19-12(14)16-17-18-19/h1-6,15H,7H2,(H2,14,16,18)
InChIKeySVDAYRKKDQZYJF-UHFFFAOYSA-N
XLogP1.40
TPSA94.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazole-1,5-diamine?
The IUPAC name of 1-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazole-1,5-diamine (CID 2996479) is 1-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazole-1,5-diamine.
What is the SMILES notation for 1-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazole-1,5-diamine?
The canonical SMILES for 1-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazole-1,5-diamine is Nc1nnnn1NCc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 1-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazole-1,5-diamine?
The InChIKey is SVDAYRKKDQZYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN6O/c13-9-3-1-8(2-4-9)11-6-5-10(20-11)7-15-19-12(14)16-17-18-19/h1-6,15H,7H2,(H2,14,16,18).
What are the key properties of 1-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazole-1,5-diamine?
1-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazole-1,5-diamine has a molecular weight of 274.26 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazole-1,5-diamine is sourced from PubChem (CID 2996479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).