1-N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine

C15H14BrFN6O — CID 4727287

IUPAC1-N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
SMILESNc1nnnn1NCc1cc(Br)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C15H14BrFN6O/c16-12-3-6-14(24-9-10-1-4-13(17)5-2-10)11(7-12)8-19-23-15(18)20-21-22-23/h1-7,19H,8-9H2,(H2,18,20,22)
InChIKeyLNLLTBSRQRCWFY-UHFFFAOYSA-N
MW393.22 g/mol
LogP2.48
Rot. Bonds6

About 1-N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine

1-N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine (PubChem CID 4727287) has the molecular formula C15H14BrFN6O and a molecular weight of 393.22 g/mol. Its IUPAC name is 1-N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
PubChem CID4727287
Molecular FormulaC15H14BrFN6O
Molecular Weight393.22 g/mol
Exact Mass392.04
IUPAC Name1-N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
SMILESNc1nnnn1NCc1cc(Br)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C15H14BrFN6O/c16-12-3-6-14(24-9-10-1-4-13(17)5-2-10)11(7-12)8-19-23-15(18)20-21-22-23/h1-7,19H,8-9H2,(H2,18,20,22)
InChIKeyLNLLTBSRQRCWFY-UHFFFAOYSA-N
XLogP2.48
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.22
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
The IUPAC name of 1-N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine (CID 4727287) is 1-N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine.
What is the SMILES notation for 1-N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
The canonical SMILES for 1-N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine is Nc1nnnn1NCc1cc(Br)ccc1OCc1ccc(F)cc1.
What is the InChIKey of 1-N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
The InChIKey is LNLLTBSRQRCWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN6O/c16-12-3-6-14(24-9-10-1-4-13(17)5-2-10)11(7-12)8-19-23-15(18)20-21-22-23/h1-7,19H,8-9H2,(H2,18,20,22).
What are the key properties of 1-N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
1-N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine has a molecular weight of 393.22 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine is sourced from PubChem (CID 4727287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).