1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]propan-1-amine

C12H14Cl2N4 — CID 114160974

IUPAC1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(Cc2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C12H14Cl2N4/c1-2-11(15)12-7-18(17-16-12)6-8-3-4-9(13)5-10(8)14/h3-5,7,11H,2,6,15H2,1H3
InChIKeyYGNJJRHBAKHRNW-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.04
Rot. Bonds4

About 1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]propan-1-amine

1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]propan-1-amine (PubChem CID 114160974) has the molecular formula C12H14Cl2N4 and a molecular weight of 285.18 g/mol. Its IUPAC name is 1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]propan-1-amine
PubChem CID114160974
Molecular FormulaC12H14Cl2N4
Molecular Weight285.18 g/mol
Exact Mass284.06
IUPAC Name1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(Cc2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C12H14Cl2N4/c1-2-11(15)12-7-18(17-16-12)6-8-3-4-9(13)5-10(8)14/h3-5,7,11H,2,6,15H2,1H3
InChIKeyYGNJJRHBAKHRNW-UHFFFAOYSA-N
XLogP3.04
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-chloro-3-fluorophenyl)methyl]triazol-4-yl]propan-1-amine
CID 114161084
1-[1-[(2-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]propan-1-amine
CID 106227853
1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]propan-1-ol
CID 114858232
1-[1-[(2-bromophenyl)methyl]triazol-4-yl]propan-1-amine
CID 114161090
[4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol
CID 106227746
1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanol
CID 114858230
[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]methanol
CID 62402021
1-[(2,5-dichlorophenyl)methyl]-4-(diethoxymethyl)triazole
CID 66216555
1-[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]ethanamine
CID 114419411
1-[1-[(4-chloro-2-nitrophenyl)methyl]triazol-4-yl]ethanamine
CID 114419975
1-[1-[2-(2,4-dichlorophenoxy)ethyl]triazol-4-yl]butan-1-amine
CID 106229546
2-[4-(1-aminopropyl)triazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 106227465

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]propan-1-amine?
The IUPAC name of 1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]propan-1-amine (CID 114160974) is 1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]propan-1-amine is CCC(N)c1cn(Cc2ccc(Cl)cc2Cl)nn1.
What is the InChIKey of 1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]propan-1-amine?
The InChIKey is YGNJJRHBAKHRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4/c1-2-11(15)12-7-18(17-16-12)6-8-3-4-9(13)5-10(8)14/h3-5,7,11H,2,6,15H2,1H3.
What are the key properties of 1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]propan-1-amine?
1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]propan-1-amine has a molecular weight of 285.18 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]propan-1-amine is sourced from PubChem (CID 114160974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).