2-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]propan-2-amine

C11H18N6 — CID 63999143

IUPAC2-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]propan-2-amine
SMILESCc1nccn1CCn1cc(C(C)(C)N)nn1
InChIInChI=1S/C11H18N6/c1-9-13-4-5-16(9)6-7-17-8-10(14-15-17)11(2,3)12/h4-5,8H,6-7,12H2,1-3H3
InChIKeyVQBFSPJFTZBEQH-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.68
Rot. Bonds4

About 2-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]propan-2-amine

2-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]propan-2-amine (PubChem CID 63999143) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 2-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]propan-2-amine
PubChem CID63999143
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name2-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]propan-2-amine
SMILESCc1nccn1CCn1cc(C(C)(C)N)nn1
InChIInChI=1S/C11H18N6/c1-9-13-4-5-16(9)6-7-17-8-10(14-15-17)11(2,3)12/h4-5,8H,6-7,12H2,1-3H3
InChIKeyVQBFSPJFTZBEQH-UHFFFAOYSA-N
XLogP0.68
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2,2-trifluoro-1-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]ethanone
CID 55092005
2-(1-pentyltriazol-4-yl)propan-2-amine
CID 63998354
3-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 63999720
1-[2-(2-methylimidazol-1-yl)ethyl]-1,2,4-triazole-3-carbothioamide
CID 62949442
[1-[2-(2-methylimidazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 62950336
2-[1-(3-phenylpropyl)triazol-4-yl]propan-2-amine
CID 63999545
1-(3,3-difluorobutyl)-2-methylimidazole
CID 126793824
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 61493565
1-(5,5-dimethylhexyl)-2-methylimidazole
CID 168848889
3-(2-methylimidazol-1-yl)propylhydrazine
CID 123546273
2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole
CID 112687525
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]propan-2-amine?
The IUPAC name of 2-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]propan-2-amine (CID 63999143) is 2-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]propan-2-amine is Cc1nccn1CCn1cc(C(C)(C)N)nn1.
What is the InChIKey of 2-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]propan-2-amine?
The InChIKey is VQBFSPJFTZBEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-9-13-4-5-16(9)6-7-17-8-10(14-15-17)11(2,3)12/h4-5,8H,6-7,12H2,1-3H3.
What are the key properties of 2-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]propan-2-amine?
2-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]propan-2-amine has a molecular weight of 234.31 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]propan-2-amine is sourced from PubChem (CID 63999143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).