1-ethyl-5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]-1,2,4-triazole

C12H15N7 — CID 56877055

IUPAC1-ethyl-5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]-1,2,4-triazole
SMILESCCn1ncnc1-c1nccn1CCn1ccnc1
InChIInChI=1S/C12H15N7/c1-2-19-12(15-9-16-19)11-14-4-6-18(11)8-7-17-5-3-13-10-17/h3-6,9-10H,2,7-8H2,1H3
InChIKeyNNZQCKBUWUAEFJ-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.06
Rot. Bonds5

About 1-ethyl-5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]-1,2,4-triazole

1-ethyl-5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]-1,2,4-triazole (PubChem CID 56877055) has the molecular formula C12H15N7 and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-ethyl-5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]-1,2,4-triazole.

Molecular Properties

Compound Name1-ethyl-5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]-1,2,4-triazole
PubChem CID56877055
Molecular FormulaC12H15N7
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name1-ethyl-5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]-1,2,4-triazole
SMILESCCn1ncnc1-c1nccn1CCn1ccnc1
InChIInChI=1S/C12H15N7/c1-2-19-12(15-9-16-19)11-14-4-6-18(11)8-7-17-5-3-13-10-17/h3-6,9-10H,2,7-8H2,1H3
InChIKeyNNZQCKBUWUAEFJ-UHFFFAOYSA-N
XLogP1.06
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]-1,2,4-triazole?
The IUPAC name of 1-ethyl-5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]-1,2,4-triazole (CID 56877055) is 1-ethyl-5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]-1,2,4-triazole.
What is the SMILES notation for 1-ethyl-5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]-1,2,4-triazole?
The canonical SMILES for 1-ethyl-5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]-1,2,4-triazole is CCn1ncnc1-c1nccn1CCn1ccnc1.
What is the InChIKey of 1-ethyl-5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]-1,2,4-triazole?
The InChIKey is NNZQCKBUWUAEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7/c1-2-19-12(15-9-16-19)11-14-4-6-18(11)8-7-17-5-3-13-10-17/h3-6,9-10H,2,7-8H2,1H3.
What are the key properties of 1-ethyl-5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]-1,2,4-triazole?
1-ethyl-5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]-1,2,4-triazole has a molecular weight of 257.30 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]-1,2,4-triazole is sourced from PubChem (CID 56877055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).