2-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]propan-2-amine

C10H16N6 — CID 114707151

IUPAC2-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cncn1CCn1ccnn1
InChIInChI=1S/C10H16N6/c1-10(2,11)9-7-12-8-15(9)5-6-16-4-3-13-14-16/h3-4,7-8H,5-6,11H2,1-2H3
InChIKeyXTEVJSFROONIRD-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.37
Rot. Bonds4

About 2-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]propan-2-amine

2-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]propan-2-amine (PubChem CID 114707151) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]propan-2-amine
PubChem CID114707151
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name2-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cncn1CCn1ccnn1
InChIInChI=1S/C10H16N6/c1-10(2,11)9-7-12-8-15(9)5-6-16-4-3-13-14-16/h3-4,7-8H,5-6,11H2,1-2H3
InChIKeyXTEVJSFROONIRD-UHFFFAOYSA-N
XLogP0.37
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]propan-2-amine?
The IUPAC name of 2-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]propan-2-amine (CID 114707151) is 2-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]propan-2-amine is CC(C)(N)c1cncn1CCn1ccnn1.
What is the InChIKey of 2-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]propan-2-amine?
The InChIKey is XTEVJSFROONIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-10(2,11)9-7-12-8-15(9)5-6-16-4-3-13-14-16/h3-4,7-8H,5-6,11H2,1-2H3.
What are the key properties of 2-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]propan-2-amine?
2-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]propan-2-amine has a molecular weight of 220.28 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 114707151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).