N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-2-prop-2-enyltetrazol-5-amine

C15H13Br2N5O — CID 39860759

IUPACN-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-2-prop-2-enyltetrazol-5-amine
SMILESC=CCn1nnc(NCc2ccc(-c3ccc(Br)cc3Br)o2)n1
InChIInChI=1S/C15H13Br2N5O/c1-2-7-22-20-15(19-21-22)18-9-11-4-6-14(23-11)12-5-3-10(16)8-13(12)17/h2-6,8H,1,7,9H2,(H,18,20)
InChIKeyNUFCLUYSNSPWJV-UHFFFAOYSA-N
MW439.11 g/mol
LogP4.26
Rot. Bonds6

About N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-2-prop-2-enyltetrazol-5-amine

N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-2-prop-2-enyltetrazol-5-amine (PubChem CID 39860759) has the molecular formula C15H13Br2N5O and a molecular weight of 439.11 g/mol. Its IUPAC name is N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-2-prop-2-enyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-2-prop-2-enyltetrazol-5-amine
PubChem CID39860759
Molecular FormulaC15H13Br2N5O
Molecular Weight439.11 g/mol
Exact Mass436.95
IUPAC NameN-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-2-prop-2-enyltetrazol-5-amine
SMILESC=CCn1nnc(NCc2ccc(-c3ccc(Br)cc3Br)o2)n1
InChIInChI=1S/C15H13Br2N5O/c1-2-7-22-20-15(19-21-22)18-9-11-4-6-14(23-11)12-5-3-10(16)8-13(12)17/h2-6,8H,1,7,9H2,(H,18,20)
InChIKeyNUFCLUYSNSPWJV-UHFFFAOYSA-N
XLogP4.26
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.11
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-2-prop-2-enyltetrazol-5-amine?
The IUPAC name of N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-2-prop-2-enyltetrazol-5-amine (CID 39860759) is N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-2-prop-2-enyltetrazol-5-amine.
What is the SMILES notation for N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-2-prop-2-enyltetrazol-5-amine?
The canonical SMILES for N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-2-prop-2-enyltetrazol-5-amine is C=CCn1nnc(NCc2ccc(-c3ccc(Br)cc3Br)o2)n1.
What is the InChIKey of N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-2-prop-2-enyltetrazol-5-amine?
The InChIKey is NUFCLUYSNSPWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2N5O/c1-2-7-22-20-15(19-21-22)18-9-11-4-6-14(23-11)12-5-3-10(16)8-13(12)17/h2-6,8H,1,7,9H2,(H,18,20).
What are the key properties of N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-2-prop-2-enyltetrazol-5-amine?
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-2-prop-2-enyltetrazol-5-amine has a molecular weight of 439.11 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-2-prop-2-enyltetrazol-5-amine is sourced from PubChem (CID 39860759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).