1-[4-ethyl-1-(1,2,4-triazol-1-yl)cyclohexa-2,4-dien-1-yl]-1,2,4-triazole

C12H14N6 — CID 173228120

IUPAC1-[4-ethyl-1-(1,2,4-triazol-1-yl)cyclohexa-2,4-dien-1-yl]-1,2,4-triazole
SMILESCCC1=CCC(n2cncn2)(n2cncn2)C=C1
InChIInChI=1S/C12H14N6/c1-2-11-3-5-12(6-4-11,17-9-13-7-15-17)18-10-14-8-16-18/h3-5,7-10H,2,6H2,1H3
InChIKeyGICZSAKXLBZQHJ-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.37
Rot. Bonds3

About 1-[4-ethyl-1-(1,2,4-triazol-1-yl)cyclohexa-2,4-dien-1-yl]-1,2,4-triazole

1-[4-ethyl-1-(1,2,4-triazol-1-yl)cyclohexa-2,4-dien-1-yl]-1,2,4-triazole (PubChem CID 173228120) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-[4-ethyl-1-(1,2,4-triazol-1-yl)cyclohexa-2,4-dien-1-yl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[4-ethyl-1-(1,2,4-triazol-1-yl)cyclohexa-2,4-dien-1-yl]-1,2,4-triazole
PubChem CID173228120
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name1-[4-ethyl-1-(1,2,4-triazol-1-yl)cyclohexa-2,4-dien-1-yl]-1,2,4-triazole
SMILESCCC1=CCC(n2cncn2)(n2cncn2)C=C1
InChIInChI=1S/C12H14N6/c1-2-11-3-5-12(6-4-11,17-9-13-7-15-17)18-10-14-8-16-18/h3-5,7-10H,2,6H2,1H3
InChIKeyGICZSAKXLBZQHJ-UHFFFAOYSA-N
XLogP1.37
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-1-(1,2,4-triazol-1-yl)cyclohexa-2,4-dien-1-yl]-1,2,4-triazole?
The IUPAC name of 1-[4-ethyl-1-(1,2,4-triazol-1-yl)cyclohexa-2,4-dien-1-yl]-1,2,4-triazole (CID 173228120) is 1-[4-ethyl-1-(1,2,4-triazol-1-yl)cyclohexa-2,4-dien-1-yl]-1,2,4-triazole.
What is the SMILES notation for 1-[4-ethyl-1-(1,2,4-triazol-1-yl)cyclohexa-2,4-dien-1-yl]-1,2,4-triazole?
The canonical SMILES for 1-[4-ethyl-1-(1,2,4-triazol-1-yl)cyclohexa-2,4-dien-1-yl]-1,2,4-triazole is CCC1=CCC(n2cncn2)(n2cncn2)C=C1.
What is the InChIKey of 1-[4-ethyl-1-(1,2,4-triazol-1-yl)cyclohexa-2,4-dien-1-yl]-1,2,4-triazole?
The InChIKey is GICZSAKXLBZQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-2-11-3-5-12(6-4-11,17-9-13-7-15-17)18-10-14-8-16-18/h3-5,7-10H,2,6H2,1H3.
What are the key properties of 1-[4-ethyl-1-(1,2,4-triazol-1-yl)cyclohexa-2,4-dien-1-yl]-1,2,4-triazole?
1-[4-ethyl-1-(1,2,4-triazol-1-yl)cyclohexa-2,4-dien-1-yl]-1,2,4-triazole has a molecular weight of 242.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-1-(1,2,4-triazol-1-yl)cyclohexa-2,4-dien-1-yl]-1,2,4-triazole is sourced from PubChem (CID 173228120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).