1-[1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]pyrrolidin-3-yl]piperazine

C17H22Cl2N6 — CID 120968202

IUPAC1-[1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]pyrrolidin-3-yl]piperazine
SMILESClc1ccc(-n2cc(CN3CCC(N4CCNCC4)C3)nn2)c(Cl)c1
InChIInChI=1S/C17H22Cl2N6/c18-13-1-2-17(16(19)9-13)25-11-14(21-22-25)10-23-6-3-15(12-23)24-7-4-20-5-8-24/h1-2,9,11,15,20H,3-8,10,12H2
InChIKeyFPPDKSAJPGBTRJ-UHFFFAOYSA-N
MW381.31 g/mol
LogP2.05
Rot. Bonds4

About 1-[1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]pyrrolidin-3-yl]piperazine

1-[1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]pyrrolidin-3-yl]piperazine (PubChem CID 120968202) has the molecular formula C17H22Cl2N6 and a molecular weight of 381.31 g/mol. Its IUPAC name is 1-[1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]pyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]pyrrolidin-3-yl]piperazine
PubChem CID120968202
Molecular FormulaC17H22Cl2N6
Molecular Weight381.31 g/mol
Exact Mass380.13
IUPAC Name1-[1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]pyrrolidin-3-yl]piperazine
SMILESClc1ccc(-n2cc(CN3CCC(N4CCNCC4)C3)nn2)c(Cl)c1
InChIInChI=1S/C17H22Cl2N6/c18-13-1-2-17(16(19)9-13)25-11-14(21-22-25)10-23-6-3-15(12-23)24-7-4-20-5-8-24/h1-2,9,11,15,20H,3-8,10,12H2
InChIKeyFPPDKSAJPGBTRJ-UHFFFAOYSA-N
XLogP2.05
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-((1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl)methyl)-4-phenylpiperazine
CID 10338184
1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683680
1-(4-Chlorophenyl)-4-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]piperazine
CID 46228564
1-(4-Chlorophenyl)-4-{[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl}piperazine
CID 46228567
[1-(2-chlorophenyl)-1H-1,2,3-triazol-4-yl]methanamine hydrochloride
CID 47002608
4-butyl-1-(2,4,6-trichlorophenyl)-1H-1,2,3-triazole
CID 11522355
4-butyl-1-(2,6-dichlorophenyl)-1H-1,2,3-triazole
CID 11623162
5-butyl-1-(2,4,6-trichlorophenyl)-1H-1,2,3-triazole
CID 11681054
2-(diethylamino)-N-[[1-(2,4,6-trichlorophenyl)triazol-4-yl]methyl]acetamide
CID 51050638
N-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]-1-[(3S)-oxan-3-yl]methanamine
CID 138964114
N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]cyclohexanamine
CID 156015281
N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-1-piperidin-4-ylmethanamine
CID 171352944

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]pyrrolidin-3-yl]piperazine?
The IUPAC name of 1-[1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]pyrrolidin-3-yl]piperazine (CID 120968202) is 1-[1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]pyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]pyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]pyrrolidin-3-yl]piperazine is Clc1ccc(-n2cc(CN3CCC(N4CCNCC4)C3)nn2)c(Cl)c1.
What is the InChIKey of 1-[1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]pyrrolidin-3-yl]piperazine?
The InChIKey is FPPDKSAJPGBTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N6/c18-13-1-2-17(16(19)9-13)25-11-14(21-22-25)10-23-6-3-15(12-23)24-7-4-20-5-8-24/h1-2,9,11,15,20H,3-8,10,12H2.
What are the key properties of 1-[1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]pyrrolidin-3-yl]piperazine?
1-[1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]pyrrolidin-3-yl]piperazine has a molecular weight of 381.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]pyrrolidin-3-yl]piperazine is sourced from PubChem (CID 120968202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).