N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine

C14H14BrN5O — CID 18778319

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine
SMILESCCn1nnc(NCc2ccc(-c3ccc(Br)cc3)o2)n1
InChIInChI=1S/C14H14BrN5O/c1-2-20-18-14(17-19-20)16-9-12-7-8-13(21-12)10-3-5-11(15)6-4-10/h3-8H,2,9H2,1H3,(H,16,18)
InChIKeyBMFLNFCAFXSYSP-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.33
Rot. Bonds5

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine (PubChem CID 18778319) has the molecular formula C14H14BrN5O and a molecular weight of 348.20 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine
PubChem CID18778319
Molecular FormulaC14H14BrN5O
Molecular Weight348.20 g/mol
Exact Mass347.04
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine
SMILESCCn1nnc(NCc2ccc(-c3ccc(Br)cc3)o2)n1
InChIInChI=1S/C14H14BrN5O/c1-2-20-18-14(17-19-20)16-9-12-7-8-13(21-12)10-3-5-11(15)6-4-10/h3-8H,2,9H2,1H3,(H,16,18)
InChIKeyBMFLNFCAFXSYSP-UHFFFAOYSA-N
XLogP3.33
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine (CID 18778319) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine is CCn1nnc(NCc2ccc(-c3ccc(Br)cc3)o2)n1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine?
The InChIKey is BMFLNFCAFXSYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5O/c1-2-20-18-14(17-19-20)16-9-12-7-8-13(21-12)10-3-5-11(15)6-4-10/h3-8H,2,9H2,1H3,(H,16,18).
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine has a molecular weight of 348.20 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine is sourced from PubChem (CID 18778319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).