1-(2,3-dichlorophenyl)-N-[[2-(dimethylamino)phenyl]methyl]tetrazol-5-amine

C16H16Cl2N6 — CID 54582658

IUPAC1-(2,3-dichlorophenyl)-N-[[2-(dimethylamino)phenyl]methyl]tetrazol-5-amine
SMILESCN(C)c1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2N6/c1-23(2)13-8-4-3-6-11(13)10-19-16-20-21-22-24(16)14-9-5-7-12(17)15(14)18/h3-9H,10H2,1-2H3,(H,19,20,22)
InChIKeyGKWKWNRPYJGSEN-UHFFFAOYSA-N
MW363.25 g/mol
LogP3.65
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-N-[[2-(dimethylamino)phenyl]methyl]tetrazol-5-amine

1-(2,3-dichlorophenyl)-N-[[2-(dimethylamino)phenyl]methyl]tetrazol-5-amine (PubChem CID 54582658) has the molecular formula C16H16Cl2N6 and a molecular weight of 363.25 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-[[2-(dimethylamino)phenyl]methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-[[2-(dimethylamino)phenyl]methyl]tetrazol-5-amine
PubChem CID54582658
Molecular FormulaC16H16Cl2N6
Molecular Weight363.25 g/mol
Exact Mass362.08
IUPAC Name1-(2,3-dichlorophenyl)-N-[[2-(dimethylamino)phenyl]methyl]tetrazol-5-amine
SMILESCN(C)c1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2N6/c1-23(2)13-8-4-3-6-11(13)10-19-16-20-21-22-24(16)14-9-5-7-12(17)15(14)18/h3-9H,10H2,1-2H3,(H,19,20,22)
InChIKeyGKWKWNRPYJGSEN-UHFFFAOYSA-N
XLogP3.65
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,3-dichlorophenyl)-N-[[2-(dimethylamino)phenyl]methyl]tetrazol-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 1-(2,3-dichlorophenyl)-N-[[2-(dimethylamino)phenyl]methyl]tetrazol-5-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-[[2-(dimethylamino)phenyl]methyl]tetrazol-5-amine (CID 54582658) is 1-(2,3-dichlorophenyl)-N-[[2-(dimethylamino)phenyl]methyl]tetrazol-5-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-[[2-(dimethylamino)phenyl]methyl]tetrazol-5-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-[[2-(dimethylamino)phenyl]methyl]tetrazol-5-amine is CN(C)c1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-[[2-(dimethylamino)phenyl]methyl]tetrazol-5-amine?
The InChIKey is GKWKWNRPYJGSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N6/c1-23(2)13-8-4-3-6-11(13)10-19-16-20-21-22-24(16)14-9-5-7-12(17)15(14)18/h3-9H,10H2,1-2H3,(H,19,20,22).
What are the key properties of 1-(2,3-dichlorophenyl)-N-[[2-(dimethylamino)phenyl]methyl]tetrazol-5-amine?
1-(2,3-dichlorophenyl)-N-[[2-(dimethylamino)phenyl]methyl]tetrazol-5-amine has a molecular weight of 363.25 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-[[2-(dimethylamino)phenyl]methyl]tetrazol-5-amine is sourced from PubChem (CID 54582658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).