1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(1-methylimidazol-2-yl)triazole

C12H16N8 — CID 72875056

IUPAC1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(1-methylimidazol-2-yl)triazole
SMILESCCn1cnnc1CCn1cc(-c2nccn2C)nn1
InChIInChI=1S/C12H16N8/c1-3-19-9-14-16-11(19)4-6-20-8-10(15-17-20)12-13-5-7-18(12)2/h5,7-9H,3-4,6H2,1-2H3
InChIKeyUDLCRWBWGWXHLH-UHFFFAOYSA-N
MW272.32 g/mol
LogP0.53
Rot. Bonds5

About 1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(1-methylimidazol-2-yl)triazole

1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(1-methylimidazol-2-yl)triazole (PubChem CID 72875056) has the molecular formula C12H16N8 and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(1-methylimidazol-2-yl)triazole.

Molecular Properties

Compound Name1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(1-methylimidazol-2-yl)triazole
PubChem CID72875056
Molecular FormulaC12H16N8
Molecular Weight272.32 g/mol
Exact Mass272.15
IUPAC Name1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(1-methylimidazol-2-yl)triazole
SMILESCCn1cnnc1CCn1cc(-c2nccn2C)nn1
InChIInChI=1S/C12H16N8/c1-3-19-9-14-16-11(19)4-6-20-8-10(15-17-20)12-13-5-7-18(12)2/h5,7-9H,3-4,6H2,1-2H3
InChIKeyUDLCRWBWGWXHLH-UHFFFAOYSA-N
XLogP0.53
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(1-methylimidazol-2-yl)triazole?
The IUPAC name of 1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(1-methylimidazol-2-yl)triazole (CID 72875056) is 1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(1-methylimidazol-2-yl)triazole.
What is the SMILES notation for 1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(1-methylimidazol-2-yl)triazole?
The canonical SMILES for 1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(1-methylimidazol-2-yl)triazole is CCn1cnnc1CCn1cc(-c2nccn2C)nn1.
What is the InChIKey of 1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(1-methylimidazol-2-yl)triazole?
The InChIKey is UDLCRWBWGWXHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N8/c1-3-19-9-14-16-11(19)4-6-20-8-10(15-17-20)12-13-5-7-18(12)2/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of 1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(1-methylimidazol-2-yl)triazole?
1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(1-methylimidazol-2-yl)triazole has a molecular weight of 272.32 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(1-methylimidazol-2-yl)triazole is sourced from PubChem (CID 72875056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).