3-(2,4-dichlorophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole

C12H12Cl2N4 — CID 82569078

IUPAC3-(2,4-dichlorophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole
SMILESClc1ccc(-c2n[nH]c(C3CCCN3)n2)c(Cl)c1
InChIInChI=1S/C12H12Cl2N4/c13-7-3-4-8(9(14)6-7)11-16-12(18-17-11)10-2-1-5-15-10/h3-4,6,10,15H,1-2,5H2,(H,16,17,18)
InChIKeyZGVNJGOCSCEPDJ-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.20
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole

3-(2,4-dichlorophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole (PubChem CID 82569078) has the molecular formula C12H12Cl2N4 and a molecular weight of 283.16 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole
PubChem CID82569078
Molecular FormulaC12H12Cl2N4
Molecular Weight283.16 g/mol
Exact Mass282.04
IUPAC Name3-(2,4-dichlorophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole
SMILESClc1ccc(-c2n[nH]c(C3CCCN3)n2)c(Cl)c1
InChIInChI=1S/C12H12Cl2N4/c13-7-3-4-8(9(14)6-7)11-16-12(18-17-11)10-2-1-5-15-10/h3-4,6,10,15H,1-2,5H2,(H,16,17,18)
InChIKeyZGVNJGOCSCEPDJ-UHFFFAOYSA-N
XLogP3.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)-5-pyrrolidin-2-ylpyrazine
CID 175660871
3-(4-bromo-2-chlorophenyl)-5-cyclopentyl-1H-1,2,4-triazole
CID 61338312
3-(3-bromophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 82569086
3-(4-tert-butylphenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 82463448
2-(4-chloro-2-fluorophenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456904
3-(2,4-dichlorophenyl)-5-ethyl-1H-1,2,4-triazole
CID 61278120
4-chloro-2-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)aniline
CID 86820070
3-[5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazol-3-yl]pyridine;dihydrochloride
CID 146064513
(2R)-2-(2,4-dichlorophenyl)piperidine;hydrochloride
CID 171195657
2-(4-chloro-2-methylphenyl)pyrrolidine
CID 55268605
4-(2,5-dichlorophenyl)-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one
CID 107654766
2-[5-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-3-yl]pyrazine
CID 99727825

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole (CID 82569078) is 3-(2,4-dichlorophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole is Clc1ccc(-c2n[nH]c(C3CCCN3)n2)c(Cl)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole?
The InChIKey is ZGVNJGOCSCEPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4/c13-7-3-4-8(9(14)6-7)11-16-12(18-17-11)10-2-1-5-15-10/h3-4,6,10,15H,1-2,5H2,(H,16,17,18).
What are the key properties of 3-(2,4-dichlorophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole?
3-(2,4-dichlorophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole has a molecular weight of 283.16 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 82569078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).