[1-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine

C8H7Cl2N5 — CID 62735905

IUPAC[1-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine
SMILESNCc1nnnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C8H7Cl2N5/c9-5-2-1-3-6(8(5)10)15-7(4-11)12-13-14-15/h1-3H,4,11H2
InChIKeyGYBKXABGCDXWES-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.43
Rot. Bonds2

About [1-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine

[1-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine (PubChem CID 62735905) has the molecular formula C8H7Cl2N5 and a molecular weight of 244.09 g/mol. Its IUPAC name is [1-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine
PubChem CID62735905
Molecular FormulaC8H7Cl2N5
Molecular Weight244.09 g/mol
Exact Mass243.01
IUPAC Name[1-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine
SMILESNCc1nnnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C8H7Cl2N5/c9-5-2-1-3-6(8(5)10)15-7(4-11)12-13-14-15/h1-3H,4,11H2
InChIKeyGYBKXABGCDXWES-UHFFFAOYSA-N
XLogP1.43
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(2,3-dichlorophenyl)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-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine?
The IUPAC name of [1-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine (CID 62735905) is [1-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine?
The canonical SMILES for [1-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine is NCc1nnnn1-c1cccc(Cl)c1Cl.
What is the InChIKey of [1-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine?
The InChIKey is GYBKXABGCDXWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N5/c9-5-2-1-3-6(8(5)10)15-7(4-11)12-13-14-15/h1-3H,4,11H2.
What are the key properties of [1-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine?
[1-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine has a molecular weight of 244.09 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 62735905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).