1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-methylmethanamine

C9H9Cl2N5 — CID 62737014

IUPAC1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCNCc1nnnn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2N5/c1-12-5-9-13-14-15-16(9)8-3-2-6(10)4-7(8)11/h2-4,12H,5H2,1H3
InChIKeyRATHQGUKHXCGSS-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.69
Rot. Bonds3

About 1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-methylmethanamine

1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-methylmethanamine (PubChem CID 62737014) has the molecular formula C9H9Cl2N5 and a molecular weight of 258.11 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-methylmethanamine
PubChem CID62737014
Molecular FormulaC9H9Cl2N5
Molecular Weight258.11 g/mol
Exact Mass257.02
IUPAC Name1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCNCc1nnnn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2N5/c1-12-5-9-13-14-15-16(9)8-3-2-6(10)4-7(8)11/h2-4,12H,5H2,1H3
InChIKeyRATHQGUKHXCGSS-UHFFFAOYSA-N
XLogP1.69
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737390
N-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 62737012
1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736070
1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62737936
N-[[1-(4-chloro-2-iodophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 107639450
1-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736655
N-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 55109239
1-[1-(2-fluoro-4-nitrophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62762967
N-[[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 81275457
1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62737573
N-[1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103084976
1-[1-(2,6-difluoro-3-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 82819907

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-methylmethanamine (CID 62737014) is 1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-methylmethanamine is CNCc1nnnn1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-methylmethanamine?
The InChIKey is RATHQGUKHXCGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N5/c1-12-5-9-13-14-15-16(9)8-3-2-6(10)4-7(8)11/h2-4,12H,5H2,1H3.
What are the key properties of 1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-methylmethanamine?
1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-methylmethanamine has a molecular weight of 258.11 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 62737014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).