N-benzyl-1-(2,3-dichlorophenyl)tetrazol-5-amine

C14H11Cl2N5 — CID 11508020

IUPACN-benzyl-1-(2,3-dichlorophenyl)tetrazol-5-amine
SMILESClc1cccc(-n2nnnc2NCc2ccccc2)c1Cl
InChIInChI=1S/C14H11Cl2N5/c15-11-7-4-8-12(13(11)16)21-14(18-19-20-21)17-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18,20)
InChIKeyGTXWGOCZTALAQW-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.58
Rot. Bonds4

About N-benzyl-1-(2,3-dichlorophenyl)tetrazol-5-amine

N-benzyl-1-(2,3-dichlorophenyl)tetrazol-5-amine (PubChem CID 11508020) has the molecular formula C14H11Cl2N5 and a molecular weight of 320.18 g/mol. Its IUPAC name is N-benzyl-1-(2,3-dichlorophenyl)tetrazol-5-amine.

Molecular Properties

Compound NameN-benzyl-1-(2,3-dichlorophenyl)tetrazol-5-amine
PubChem CID11508020
Molecular FormulaC14H11Cl2N5
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC NameN-benzyl-1-(2,3-dichlorophenyl)tetrazol-5-amine
SMILESClc1cccc(-n2nnnc2NCc2ccccc2)c1Cl
InChIInChI=1S/C14H11Cl2N5/c15-11-7-4-8-12(13(11)16)21-14(18-19-20-21)17-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18,20)
InChIKeyGTXWGOCZTALAQW-UHFFFAOYSA-N
XLogP3.58
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-1-(2,3-dichlorophenyl)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

Related Compounds

N~5~-(2-chlorobenzyl)-1-phenyl-1H-1,2,4-triazole-3,5-diamine
CID 8071206
1-(2,3-dichlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]tetrazol-5-amine
CID 11509663
1-(2,3-dichlorophenyl)-N-[2-(methylthio)benzyl]-1H-tetrazol-5-amine
CID 11523472
1-(2,3-dichlorophenyl)-N-[(1R)-1-phenylethyl]tetrazol-5-amine
CID 11537311
2-[[[1-(2,3-Dichlorophenyl)tetrazol-5-yl]amino]methyl]benzonitrile
CID 11544727
1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1H-tetraazol-5-amine
CID 11652890
1-(2,3-dichlorophenyl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]tetrazol-5-amine
CID 11709955
2-(2,3-dichlorophenyl)-N-[(2-methylsulfanylphenyl)methyl]-1,2,4-triazol-3-amine
CID 16678806
2-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1,2,4-triazol-3-amine
CID 44453839
N-benzyl-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine
CID 44453843
2-(2,3-dichlorophenyl)-N-phenyl-1,2,4-triazol-3-amine
CID 44453893
1-(2,3-dichlorophenyl)-N-[2-(methylsulfonyl)benzyl]-1H-tetraazol-5-amine
CID 53249126

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,3-dichlorophenyl)tetrazol-5-amine?
The IUPAC name of N-benzyl-1-(2,3-dichlorophenyl)tetrazol-5-amine (CID 11508020) is N-benzyl-1-(2,3-dichlorophenyl)tetrazol-5-amine.
What is the SMILES notation for N-benzyl-1-(2,3-dichlorophenyl)tetrazol-5-amine?
The canonical SMILES for N-benzyl-1-(2,3-dichlorophenyl)tetrazol-5-amine is Clc1cccc(-n2nnnc2NCc2ccccc2)c1Cl.
What is the InChIKey of N-benzyl-1-(2,3-dichlorophenyl)tetrazol-5-amine?
The InChIKey is GTXWGOCZTALAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5/c15-11-7-4-8-12(13(11)16)21-14(18-19-20-21)17-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18,20).
What are the key properties of N-benzyl-1-(2,3-dichlorophenyl)tetrazol-5-amine?
N-benzyl-1-(2,3-dichlorophenyl)tetrazol-5-amine has a molecular weight of 320.18 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,3-dichlorophenyl)tetrazol-5-amine is sourced from PubChem (CID 11508020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).