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

C10H10Cl2N4 — CID 114419272

IUPAC1-[1-(2,3-dichlorophenyl)triazol-4-yl]ethanamine
SMILESCC(N)c1cn(-c2cccc(Cl)c2Cl)nn1
InChIInChI=1S/C10H10Cl2N4/c1-6(13)8-5-16(15-14-8)9-4-2-3-7(11)10(9)12/h2-6H,13H2,1H3
InChIKeyULYGURQQJQEIMP-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.59
Rot. Bonds2

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

1-[1-(2,3-dichlorophenyl)triazol-4-yl]ethanamine (PubChem CID 114419272) has the molecular formula C10H10Cl2N4 and a molecular weight of 257.12 g/mol. Its IUPAC name is 1-[1-(2,3-dichlorophenyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2,3-dichlorophenyl)triazol-4-yl]ethanamine
PubChem CID114419272
Molecular FormulaC10H10Cl2N4
Molecular Weight257.12 g/mol
Exact Mass256.03
IUPAC Name1-[1-(2,3-dichlorophenyl)triazol-4-yl]ethanamine
SMILESCC(N)c1cn(-c2cccc(Cl)c2Cl)nn1
InChIInChI=1S/C10H10Cl2N4/c1-6(13)8-5-16(15-14-8)9-4-2-3-7(11)10(9)12/h2-6H,13H2,1H3
InChIKeyULYGURQQJQEIMP-UHFFFAOYSA-N
XLogP2.59
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2,3-dichlorophenyl)triazol-4-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

4-(1-bromoethyl)-1-(2,3-dichlorophenyl)triazole
CID 81445238
1-[1-(2,3-dimethylphenyl)triazol-4-yl]ethanamine
CID 114419243
1-[1-(2-bromo-3-chlorophenyl)triazol-4-yl]ethanol
CID 103481494
1-[1-(3-chloro-2-fluorophenyl)triazol-4-yl]propan-1-amine
CID 106226838
1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine
CID 103084945
1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanamine
CID 43671311
1-[1-(3-bromo-4-chlorophenyl)triazol-4-yl]ethanamine
CID 114419369
1-[1-(2,5-difluorophenyl)triazol-4-yl]ethanamine
CID 114419303
(2S)-2-[[1-(2,3-dichlorophenyl)triazol-4-yl]methyl-ethylamino]propan-1-ol
CID 167808709
2-[[1-(2,3-dichlorophenyl)triazol-4-yl]methylamino]propanoic acid
CID 120913278
(2S)-2-[[1-(2,3-dichlorophenyl)triazol-4-yl]methylamino]-3-methylbutanoic acid
CID 120510624
1-(2,3-dichlorophenyl)ethanamine chloride
CID 51371192

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dichlorophenyl)triazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(2,3-dichlorophenyl)triazol-4-yl]ethanamine (CID 114419272) is 1-[1-(2,3-dichlorophenyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(2,3-dichlorophenyl)triazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(2,3-dichlorophenyl)triazol-4-yl]ethanamine is CC(N)c1cn(-c2cccc(Cl)c2Cl)nn1.
What is the InChIKey of 1-[1-(2,3-dichlorophenyl)triazol-4-yl]ethanamine?
The InChIKey is ULYGURQQJQEIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4/c1-6(13)8-5-16(15-14-8)9-4-2-3-7(11)10(9)12/h2-6H,13H2,1H3.
What are the key properties of 1-[1-(2,3-dichlorophenyl)triazol-4-yl]ethanamine?
1-[1-(2,3-dichlorophenyl)triazol-4-yl]ethanamine has a molecular weight of 257.12 g/mol, XLogP of 2.59, 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)triazol-4-yl]ethanamine is sourced from PubChem (CID 114419272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).