1-(2,5-dibromophenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine

C15H20Br2N4 — CID 105003171

IUPAC1-(2,5-dibromophenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCCn1ncnc1CC(NCC)c1cc(Br)ccc1Br
InChIInChI=1S/C15H20Br2N4/c1-3-7-21-15(19-10-20-21)9-14(18-4-2)12-8-11(16)5-6-13(12)17/h5-6,8,10,14,18H,3-4,7,9H2,1-2H3
InChIKeyWZXAVWSSKBVEAK-UHFFFAOYSA-N
MW416.16 g/mol
LogP4.11
Rot. Bonds7

About 1-(2,5-dibromophenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine

1-(2,5-dibromophenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 105003171) has the molecular formula C15H20Br2N4 and a molecular weight of 416.16 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID105003171
Molecular FormulaC15H20Br2N4
Molecular Weight416.16 g/mol
Exact Mass414.01
IUPAC Name1-(2,5-dibromophenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCCn1ncnc1CC(NCC)c1cc(Br)ccc1Br
InChIInChI=1S/C15H20Br2N4/c1-3-7-21-15(19-10-20-21)9-14(18-4-2)12-8-11(16)5-6-13(12)17/h5-6,8,10,14,18H,3-4,7,9H2,1-2H3
InChIKeyWZXAVWSSKBVEAK-UHFFFAOYSA-N
XLogP4.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.16
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-methylphenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003000
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105002922
1-(2,4-dibromophenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 107946144
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 114906400
1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105002924
N-[1-(2-bromo-5-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 105002224
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 107993991
N-[1-(4-bromo-2-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 105002017
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003241
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 104996741
(1R)-1-[5-bromo-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 79013815
N-ethyl-1-(3-ethylthiophen-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003199

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(2,5-dibromophenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine (CID 105003171) is 1-(2,5-dibromophenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(2,5-dibromophenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine is CCCn1ncnc1CC(NCC)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is WZXAVWSSKBVEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2N4/c1-3-7-21-15(19-10-20-21)9-14(18-4-2)12-8-11(16)5-6-13(12)17/h5-6,8,10,14,18H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(2,5-dibromophenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine?
1-(2,5-dibromophenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 416.16 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 105003171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).