6-(4-chlorophenyl)-3-ethyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione

C12H11ClN4O2 — CID 45492457

IUPAC6-(4-chlorophenyl)-3-ethyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCCn1c(=O)nc2n1C(=O)N(c1ccc(Cl)cc1)C2
InChIInChI=1S/C12H11ClN4O2/c1-2-16-11(18)14-10-7-15(12(19)17(10)16)9-5-3-8(13)4-6-9/h3-6H,2,7H2,1H3
InChIKeyVMAMDBIVUCLQDC-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.71
Rot. Bonds2

About 6-(4-chlorophenyl)-3-ethyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione

6-(4-chlorophenyl)-3-ethyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 45492457) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-ethyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-ethyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID45492457
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC Name6-(4-chlorophenyl)-3-ethyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCCn1c(=O)nc2n1C(=O)N(c1ccc(Cl)cc1)C2
InChIInChI=1S/C12H11ClN4O2/c1-2-16-11(18)14-10-7-15(12(19)17(10)16)9-5-3-8(13)4-6-9/h3-6H,2,7H2,1H3
InChIKeyVMAMDBIVUCLQDC-UHFFFAOYSA-N
XLogP1.71
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-ethyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 6-(4-chlorophenyl)-3-ethyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 45492457) is 6-(4-chlorophenyl)-3-ethyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 6-(4-chlorophenyl)-3-ethyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 6-(4-chlorophenyl)-3-ethyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is CCn1c(=O)nc2n1C(=O)N(c1ccc(Cl)cc1)C2.
What is the InChIKey of 6-(4-chlorophenyl)-3-ethyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is VMAMDBIVUCLQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c1-2-16-11(18)14-10-7-15(12(19)17(10)16)9-5-3-8(13)4-6-9/h3-6H,2,7H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-3-ethyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
6-(4-chlorophenyl)-3-ethyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 278.70 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-ethyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 45492457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).