1-(2,4-dichlorophenyl)-N,N-dimethyltetrazol-5-amine

C9H9Cl2N5 — CID 1475255

IUPAC1-(2,4-dichlorophenyl)-N,N-dimethyltetrazol-5-amine
SMILESCN(C)c1nnnn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2N5/c1-15(2)9-12-13-14-16(9)8-4-3-6(10)5-7(8)11/h3-5H,1-2H3
InChIKeyWBZQTKUAJZBNIN-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.04
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-N,N-dimethyltetrazol-5-amine

1-(2,4-dichlorophenyl)-N,N-dimethyltetrazol-5-amine (PubChem CID 1475255) has the molecular formula C9H9Cl2N5 and a molecular weight of 258.11 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N,N-dimethyltetrazol-5-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N,N-dimethyltetrazol-5-amine
PubChem CID1475255
Molecular FormulaC9H9Cl2N5
Molecular Weight258.11 g/mol
Exact Mass257.02
IUPAC Name1-(2,4-dichlorophenyl)-N,N-dimethyltetrazol-5-amine
SMILESCN(C)c1nnnn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2N5/c1-15(2)9-12-13-14-16(9)8-4-3-6(10)5-7(8)11/h3-5H,1-2H3
InChIKeyWBZQTKUAJZBNIN-UHFFFAOYSA-N
XLogP2.04
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-1H-tetrazole
CID 270006
1-[4-Chlorophenyl]-N,N-dimethyl-1H-tetrazol-5-amine
CID 539378
1H-Tetrazole, 1-(4-chlorophenyl)-5-methyl-
CID 581477
1-(4-chlorophenyl)-5-(methylthio)-1H-tetrazole
CID 1243254
5-Amino-O-chlorophenyl tetrazole
CID 323184
1-(4-chloro-2-iodophenyl)-1H-1,2,3,4-tetrazole
CID 66698384
1,2,4-1H-Triazole, 1-(2,4,6-trichlorophenyl)-5-dimethylaminomethylenamino-3-methylthio-
CID 5865273
Tetrazole,5-amino-1-(4-chlorophenyl)
CID 1473133
5-Chloro-1-[4-chlorophenyl]-1H-tetrazole
CID 591993
5-(chloromethyl)-1-(4-chlorophenyl)-1H-tetrazole
CID 8027114
1-(4-Chlorophenyl)-1,2,4-triazole
CID 54246757
5-Amino-1-(2,4-dichlorophenyl)tetrazole
CID 23273939

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N,N-dimethyltetrazol-5-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N,N-dimethyltetrazol-5-amine (CID 1475255) is 1-(2,4-dichlorophenyl)-N,N-dimethyltetrazol-5-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N,N-dimethyltetrazol-5-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N,N-dimethyltetrazol-5-amine is CN(C)c1nnnn1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N,N-dimethyltetrazol-5-amine?
The InChIKey is WBZQTKUAJZBNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N5/c1-15(2)9-12-13-14-16(9)8-4-3-6(10)5-7(8)11/h3-5H,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N,N-dimethyltetrazol-5-amine?
1-(2,4-dichlorophenyl)-N,N-dimethyltetrazol-5-amine has a molecular weight of 258.11 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N,N-dimethyltetrazol-5-amine is sourced from PubChem (CID 1475255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).