1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine

C9H9Cl2N5 — CID 103084945

IUPAC1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine
SMILESCC(N)c1nnnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C9H9Cl2N5/c1-5(12)9-13-14-15-16(9)7-4-2-3-6(10)8(7)11/h2-5H,12H2,1H3
InChIKeyHOVJNHROSRXMSA-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.99
Rot. Bonds2

About 1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine

1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine (PubChem CID 103084945) has the molecular formula C9H9Cl2N5 and a molecular weight of 258.11 g/mol. Its IUPAC name is 1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine
PubChem CID103084945
Molecular FormulaC9H9Cl2N5
Molecular Weight258.11 g/mol
Exact Mass257.02
IUPAC Name1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine
SMILESCC(N)c1nnnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C9H9Cl2N5/c1-5(12)9-13-14-15-16(9)7-4-2-3-6(10)8(7)11/h2-5H,12H2,1H3
InChIKeyHOVJNHROSRXMSA-UHFFFAOYSA-N
XLogP1.99
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine 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

1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 82227906
1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanamine
CID 43671311
1-[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 103085965
[1-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine
CID 62735905
1-[1-(2,3-dichlorophenyl)triazol-4-yl]ethanamine
CID 114419272
1-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]ethanamine
CID 103086014
2-[1-(2,3-dichlorophenyl)tetrazol-5-yl]-4-methylaniline
CID 65453950
1-(2-bromo-3-methylphenyl)-5-(1-chloroethyl)tetrazole
CID 103084623
1-[1-(3-bromophenyl)tetrazol-5-yl]ethanamine;hydrochloride
CID 122714845
1-[1-(2-bromo-4-fluorophenyl)tetrazol-5-yl]ethanamine
CID 103085118
1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]tetrazol-5-amine
CID 68583696
5-(1-chloroethyl)-1-(2-chloro-4-methylphenyl)tetrazole
CID 103084325

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine?
The IUPAC name of 1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine (CID 103084945) is 1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for 1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine is CC(N)c1nnnn1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine?
The InChIKey is HOVJNHROSRXMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N5/c1-5(12)9-13-14-15-16(9)7-4-2-3-6(10)8(7)11/h2-5H,12H2,1H3.
What are the key properties of 1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine?
1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine has a molecular weight of 258.11 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103084945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).