2-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine

C11H17BrN6 — CID 116642247

IUPAC2-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine
SMILESCCn1nc(C)c(Br)c1Cn1cc(CCN)nn1
InChIInChI=1S/C11H17BrN6/c1-3-18-10(11(12)8(2)15-18)7-17-6-9(4-5-13)14-16-17/h6H,3-5,7,13H2,1-2H3
InChIKeyACKNVDLBELDQGM-UHFFFAOYSA-N
MW313.20 g/mol
LogP1.11
Rot. Bonds5

About 2-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine

2-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine (PubChem CID 116642247) has the molecular formula C11H17BrN6 and a molecular weight of 313.20 g/mol. Its IUPAC name is 2-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine
PubChem CID116642247
Molecular FormulaC11H17BrN6
Molecular Weight313.20 g/mol
Exact Mass312.07
IUPAC Name2-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine
SMILESCCn1nc(C)c(Br)c1Cn1cc(CCN)nn1
InChIInChI=1S/C11H17BrN6/c1-3-18-10(11(12)8(2)15-18)7-17-6-9(4-5-13)14-16-17/h6H,3-5,7,13H2,1-2H3
InChIKeyACKNVDLBELDQGM-UHFFFAOYSA-N
XLogP1.11
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66193876
[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]imidazol-4-yl]methanamine
CID 106718188
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]triazol-4-amine
CID 79543366
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]ethanamine
CID 116641942
2-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]acetic acid
CID 107461479
3-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]propan-1-amine
CID 106220784
2-[1-[2-(diethylamino)ethyl]triazol-4-yl]ethanamine
CID 116642052
4-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]butan-1-amine
CID 104539356
1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine
CID 114419561
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanamine
CID 116642059
2-(1-pentyltriazol-4-yl)ethanamine
CID 116641934
2-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]triazol-4-yl]ethanamine
CID 116641837

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine (CID 116642247) is 2-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine is CCn1nc(C)c(Br)c1Cn1cc(CCN)nn1.
What is the InChIKey of 2-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine?
The InChIKey is ACKNVDLBELDQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN6/c1-3-18-10(11(12)8(2)15-18)7-17-6-9(4-5-13)14-16-17/h6H,3-5,7,13H2,1-2H3.
What are the key properties of 2-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine?
2-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine has a molecular weight of 313.20 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 116642247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).