2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]triazol-4-yl]ethanamine

C11H18N6 — CID 116641969

IUPAC2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]triazol-4-yl]ethanamine
SMILESCC(C)n1cncc1Cn1cc(CCN)nn1
InChIInChI=1S/C11H18N6/c1-9(2)17-8-13-5-11(17)7-16-6-10(3-4-12)14-15-16/h5-6,8-9H,3-4,7,12H2,1-2H3
InChIKeyLVOWMYPSXCIGPO-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.61
Rot. Bonds5

About 2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]triazol-4-yl]ethanamine

2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]triazol-4-yl]ethanamine (PubChem CID 116641969) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]triazol-4-yl]ethanamine
PubChem CID116641969
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]triazol-4-yl]ethanamine
SMILESCC(C)n1cncc1Cn1cc(CCN)nn1
InChIInChI=1S/C11H18N6/c1-9(2)17-8-13-5-11(17)7-16-6-10(3-4-12)14-15-16/h5-6,8-9H,3-4,7,12H2,1-2H3
InChIKeyLVOWMYPSXCIGPO-UHFFFAOYSA-N
XLogP0.61
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]triazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]triazol-4-yl]ethanamine (CID 116641969) is 2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]triazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]triazol-4-yl]ethanamine is CC(C)n1cncc1Cn1cc(CCN)nn1.
What is the InChIKey of 2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]triazol-4-yl]ethanamine?
The InChIKey is LVOWMYPSXCIGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-9(2)17-8-13-5-11(17)7-16-6-10(3-4-12)14-15-16/h5-6,8-9H,3-4,7,12H2,1-2H3.
What are the key properties of 2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]triazol-4-yl]ethanamine?
2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]triazol-4-yl]ethanamine has a molecular weight of 234.31 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 116641969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).