4-[3-(2-ethylimidazol-1-yl)propyl]-1,2,4-triazole

C10H15N5 — CID 50965463

IUPAC4-[3-(2-ethylimidazol-1-yl)propyl]-1,2,4-triazole
SMILESCCc1nccn1CCCn1cnnc1
InChIInChI=1S/C10H15N5/c1-2-10-11-4-7-15(10)6-3-5-14-8-12-13-9-14/h4,7-9H,2-3,5-6H2,1H3
InChIKeyXIJAZCXYJAOIJK-UHFFFAOYSA-N
MW205.27 g/mol
LogP1.13
Rot. Bonds5

About 4-[3-(2-ethylimidazol-1-yl)propyl]-1,2,4-triazole

4-[3-(2-ethylimidazol-1-yl)propyl]-1,2,4-triazole (PubChem CID 50965463) has the molecular formula C10H15N5 and a molecular weight of 205.27 g/mol. Its IUPAC name is 4-[3-(2-ethylimidazol-1-yl)propyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-[3-(2-ethylimidazol-1-yl)propyl]-1,2,4-triazole
PubChem CID50965463
Molecular FormulaC10H15N5
Molecular Weight205.27 g/mol
Exact Mass205.13
IUPAC Name4-[3-(2-ethylimidazol-1-yl)propyl]-1,2,4-triazole
SMILESCCc1nccn1CCCn1cnnc1
InChIInChI=1S/C10H15N5/c1-2-10-11-4-7-15(10)6-3-5-14-8-12-13-9-14/h4,7-9H,2-3,5-6H2,1H3
InChIKeyXIJAZCXYJAOIJK-UHFFFAOYSA-N
XLogP1.13
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-ethylimidazol-1-yl)propyl]-1,2,4-triazole?
The IUPAC name of 4-[3-(2-ethylimidazol-1-yl)propyl]-1,2,4-triazole (CID 50965463) is 4-[3-(2-ethylimidazol-1-yl)propyl]-1,2,4-triazole.
What is the SMILES notation for 4-[3-(2-ethylimidazol-1-yl)propyl]-1,2,4-triazole?
The canonical SMILES for 4-[3-(2-ethylimidazol-1-yl)propyl]-1,2,4-triazole is CCc1nccn1CCCn1cnnc1.
What is the InChIKey of 4-[3-(2-ethylimidazol-1-yl)propyl]-1,2,4-triazole?
The InChIKey is XIJAZCXYJAOIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-2-10-11-4-7-15(10)6-3-5-14-8-12-13-9-14/h4,7-9H,2-3,5-6H2,1H3.
What are the key properties of 4-[3-(2-ethylimidazol-1-yl)propyl]-1,2,4-triazole?
4-[3-(2-ethylimidazol-1-yl)propyl]-1,2,4-triazole has a molecular weight of 205.27 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-ethylimidazol-1-yl)propyl]-1,2,4-triazole is sourced from PubChem (CID 50965463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).