1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanamine

C11H12Cl2N4 — CID 43671311

IUPAC1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanamine
SMILESCc1c(C(C)N)nnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C11H12Cl2N4/c1-6(14)11-7(2)17(16-15-11)9-5-3-4-8(12)10(9)13/h3-6H,14H2,1-2H3
InChIKeySPGLABVEASMJMM-UHFFFAOYSA-N
MW271.15 g/mol
LogP2.90
Rot. Bonds2

About 1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanamine

1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanamine (PubChem CID 43671311) has the molecular formula C11H12Cl2N4 and a molecular weight of 271.15 g/mol. Its IUPAC name is 1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanamine
PubChem CID43671311
Molecular FormulaC11H12Cl2N4
Molecular Weight271.15 g/mol
Exact Mass270.04
IUPAC Name1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanamine
SMILESCc1c(C(C)N)nnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C11H12Cl2N4/c1-6(14)11-7(2)17(16-15-11)9-5-3-4-8(12)10(9)13/h3-6H,14H2,1-2H3
InChIKeySPGLABVEASMJMM-UHFFFAOYSA-N
XLogP2.90
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanamine
CID 43671235
1-[1-(3-bromo-2-methylphenyl)-5-methyltriazol-4-yl]ethanamine
CID 107627041
1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine
CID 103084945
1-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]ethanamine
CID 43671186
1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanone
CID 540378
1-[1-(3-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]ethanamine
CID 43671319
1-[1-(2,3-dichlorophenyl)triazol-4-yl]ethanamine
CID 114419272
1-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]ethanamine
CID 62254228
[1-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine
CID 62735905
1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 82227906
1-[1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-5-methyltriazol-4-yl]ethanamine
CID 65475332
1-(3-chloro-2-methylphenyl)-5-methyltriazole-4-carbaldehyde
CID 82196367

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanamine (CID 43671311) is 1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanamine is Cc1c(C(C)N)nnn1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanamine?
The InChIKey is SPGLABVEASMJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4/c1-6(14)11-7(2)17(16-15-11)9-5-3-4-8(12)10(9)13/h3-6H,14H2,1-2H3.
What are the key properties of 1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanamine?
1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanamine has a molecular weight of 271.15 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanamine is sourced from PubChem (CID 43671311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).