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

C15H20BrN5 — CID 102797241

IUPAC1-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
SMILESCC1CN(c2n[nH]c(Cc3cccc(Br)c3)n2)CC(C)N1
InChIInChI=1S/C15H20BrN5/c1-10-8-21(9-11(2)17-10)15-18-14(19-20-15)7-12-4-3-5-13(16)6-12/h3-6,10-11,17H,7-9H2,1-2H3,(H,18,19,20)
InChIKeySAUYGBWWUFRXGR-UHFFFAOYSA-N
MW350.26 g/mol
LogP2.34
Rot. Bonds3

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

1-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine (PubChem CID 102797241) has the molecular formula C15H20BrN5 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
PubChem CID102797241
Molecular FormulaC15H20BrN5
Molecular Weight350.26 g/mol
Exact Mass349.09
IUPAC Name1-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
SMILESCC1CN(c2n[nH]c(Cc3cccc(Br)c3)n2)CC(C)N1
InChIInChI=1S/C15H20BrN5/c1-10-8-21(9-11(2)17-10)15-18-14(19-20-15)7-12-4-3-5-13(16)6-12/h3-6,10-11,17H,7-9H2,1-2H3,(H,18,19,20)
InChIKeySAUYGBWWUFRXGR-UHFFFAOYSA-N
XLogP2.34
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797400
[1-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800552
[1-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799796
3,5-dimethyl-1-[5-[(2-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine
CID 102797419
1-[5-(5-bromo-2-methylphenyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797309
4-methyl-1-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102798846
1-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
CID 102799010
3,5-dimethyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797272
1-[5-(4-bromo-2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797260
3-methyl-1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798267
(3R)-1-(3-bromophenyl)-3,5-dimethylpiperazine
CID 146646153
1-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798984

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine?
The IUPAC name of 1-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine (CID 102797241) is 1-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine.
What is the SMILES notation for 1-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine?
The canonical SMILES for 1-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine is CC1CN(c2n[nH]c(Cc3cccc(Br)c3)n2)CC(C)N1.
What is the InChIKey of 1-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine?
The InChIKey is SAUYGBWWUFRXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN5/c1-10-8-21(9-11(2)17-10)15-18-14(19-20-15)7-12-4-3-5-13(16)6-12/h3-6,10-11,17H,7-9H2,1-2H3,(H,18,19,20).
What are the key properties of 1-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine?
1-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine has a molecular weight of 350.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine is sourced from PubChem (CID 102797241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).