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

C9H9Cl2N5 — CID 82300255

IUPAC2-[2-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine
SMILESNCCc1nnn(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C9H9Cl2N5/c10-6-2-1-3-7(9(6)11)16-14-8(4-5-12)13-15-16/h1-3H,4-5,12H2
InChIKeyFQMBTFFHWDJQSZ-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.47
Rot. Bonds3

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

2-[2-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine (PubChem CID 82300255) has the molecular formula C9H9Cl2N5 and a molecular weight of 258.11 g/mol. Its IUPAC name is 2-[2-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine
PubChem CID82300255
Molecular FormulaC9H9Cl2N5
Molecular Weight258.11 g/mol
Exact Mass257.02
IUPAC Name2-[2-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine
SMILESNCCc1nnn(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C9H9Cl2N5/c10-6-2-1-3-7(9(6)11)16-14-8(4-5-12)13-15-16/h1-3H,4-5,12H2
InChIKeyFQMBTFFHWDJQSZ-UHFFFAOYSA-N
XLogP1.47
TPSA69.62 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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine
CID 82294024
2-[1-(2,3-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96667867
[1-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine
CID 62735905
1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine
CID 103084945
[1-(2,3-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
CID 82482823
1-[1-(2,3-dichlorophenyl)triazol-4-yl]ethanamine
CID 114419272
[2-(2-ethylphenyl)tetrazol-5-yl]methanamine
CID 82282627
1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanamine
CID 43671311
2-[3-chloro-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine
CID 81159918
2-[1-(2-chlorophenyl)imidazol-4-yl]ethanamine
CID 82472942
1-(2,3-dichlorophenyl)pyrazol-3-amine
CID 70210404
2-[4-chloro-2-(5-phenyltetrazol-2-yl)phenyl]ethanamine
CID 114862330

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine (CID 82300255) is 2-[2-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine is NCCc1nnn(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2-[2-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine?
The InChIKey is FQMBTFFHWDJQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N5/c10-6-2-1-3-7(9(6)11)16-14-8(4-5-12)13-15-16/h1-3H,4-5,12H2.
What are the key properties of 2-[2-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine?
2-[2-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine has a molecular weight of 258.11 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 82300255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).