1-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-2,5-dimethylpiperazine

C15H19Cl2N5 — CID 120906078

IUPAC1-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-2,5-dimethylpiperazine
SMILESCC1CN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C(C)CN1
InChIInChI=1S/C15H19Cl2N5/c1-10-7-21(11(2)6-18-10)8-12-9-22(20-19-12)13-3-4-14(16)15(17)5-13/h3-5,9-11,18H,6-8H2,1-2H3
InChIKeyREMDGGUJBBXFRC-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.76
Rot. Bonds3

About 1-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-2,5-dimethylpiperazine

1-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-2,5-dimethylpiperazine (PubChem CID 120906078) has the molecular formula C15H19Cl2N5 and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-2,5-dimethylpiperazine
PubChem CID120906078
Molecular FormulaC15H19Cl2N5
Molecular Weight340.26 g/mol
Exact Mass339.10
IUPAC Name1-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-2,5-dimethylpiperazine
SMILESCC1CN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C(C)CN1
InChIInChI=1S/C15H19Cl2N5/c1-10-7-21(11(2)6-18-10)8-12-9-22(20-19-12)13-3-4-14(16)15(17)5-13/h3-5,9-11,18H,6-8H2,1-2H3
InChIKeyREMDGGUJBBXFRC-UHFFFAOYSA-N
XLogP2.76
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dichlorophenyl)-2,5-dimethylpiperazine
CID 11565136
1-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-6-methylpiperidine-3-carboxylic acid
CID 122124525
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
(2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine
CID 71174749
1-[(2,3-dichlorophenyl)methyl]-2,5-dimethylpiperazine
CID 64979055
2-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107055406
2,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120906169
5-ethyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107055600
1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906190
bis(1-[1-(3,4-dichlorophenyl)triazol-4-yl]-N,N-dimethylmethanamine);[1-(3,4-dichlorophenyl)triazol-4-yl]methanamine;hydrochloride
CID 161372896
[1-(3,4-dichlorophenyl)triazol-4-yl]methanesulfonic acid
CID 146424923
1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,5-dimethylpiperazine
CID 120906075

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-2,5-dimethylpiperazine?
The IUPAC name of 1-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-2,5-dimethylpiperazine (CID 120906078) is 1-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-2,5-dimethylpiperazine?
The canonical SMILES for 1-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-2,5-dimethylpiperazine is CC1CN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C(C)CN1.
What is the InChIKey of 1-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-2,5-dimethylpiperazine?
The InChIKey is REMDGGUJBBXFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N5/c1-10-7-21(11(2)6-18-10)8-12-9-22(20-19-12)13-3-4-14(16)15(17)5-13/h3-5,9-11,18H,6-8H2,1-2H3.
What are the key properties of 1-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-2,5-dimethylpiperazine?
1-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-2,5-dimethylpiperazine has a molecular weight of 340.26 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 120906078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).