[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]methanamine

C9H9Br2N5 — CID 62735723

IUPAC[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]methanamine
SMILESCc1cc(Br)c(-n2nnnc2CN)c(Br)c1
InChIInChI=1S/C9H9Br2N5/c1-5-2-6(10)9(7(11)3-5)16-8(4-12)13-14-15-16/h2-3H,4,12H2,1H3
InChIKeyLFYFCGHVHKWPTE-UHFFFAOYSA-N
MW347.01 g/mol
LogP1.95
Rot. Bonds2

About [1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]methanamine

[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]methanamine (PubChem CID 62735723) has the molecular formula C9H9Br2N5 and a molecular weight of 347.01 g/mol. Its IUPAC name is [1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]methanamine
PubChem CID62735723
Molecular FormulaC9H9Br2N5
Molecular Weight347.01 g/mol
Exact Mass344.92
IUPAC Name[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]methanamine
SMILESCc1cc(Br)c(-n2nnnc2CN)c(Br)c1
InChIInChI=1S/C9H9Br2N5/c1-5-2-6(10)9(7(11)3-5)16-8(4-12)13-14-15-16/h2-3H,4,12H2,1H3
InChIKeyLFYFCGHVHKWPTE-UHFFFAOYSA-N
XLogP1.95
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.01
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]methanamine 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 [1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]methanamine?
The IUPAC name of [1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]methanamine (CID 62735723) is [1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]methanamine?
The canonical SMILES for [1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]methanamine is Cc1cc(Br)c(-n2nnnc2CN)c(Br)c1.
What is the InChIKey of [1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]methanamine?
The InChIKey is LFYFCGHVHKWPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2N5/c1-5-2-6(10)9(7(11)3-5)16-8(4-12)13-14-15-16/h2-3H,4,12H2,1H3.
What are the key properties of [1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]methanamine?
[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]methanamine has a molecular weight of 347.01 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 62735723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).