(5-tert-butyl-3-ethyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone

C11H16N6O — CID 69388164

IUPAC(5-tert-butyl-3-ethyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
SMILESCCc1nc(C(C)(C)C)n(C(=O)n2cncn2)n1
InChIInChI=1S/C11H16N6O/c1-5-8-14-9(11(2,3)4)17(15-8)10(18)16-7-12-6-13-16/h6-7H,5H2,1-4H3
InChIKeyZYSVKKVGOREMGO-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.25
Rot. Bonds1

About (5-tert-butyl-3-ethyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone

(5-tert-butyl-3-ethyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone (PubChem CID 69388164) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is (5-tert-butyl-3-ethyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone.

Molecular Properties

Compound Name(5-tert-butyl-3-ethyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
PubChem CID69388164
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name(5-tert-butyl-3-ethyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
SMILESCCc1nc(C(C)(C)C)n(C(=O)n2cncn2)n1
InChIInChI=1S/C11H16N6O/c1-5-8-14-9(11(2,3)4)17(15-8)10(18)16-7-12-6-13-16/h6-7H,5H2,1-4H3
InChIKeyZYSVKKVGOREMGO-UHFFFAOYSA-N
XLogP1.25
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-tert-butyl-3-ethyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(2-Methylpropyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-(1,2,4-triazol-1-yl)methanone
CID 69381122
(5-Fluoro-3-methyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 69381134
[5-Methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-(1,2,4-triazol-1-yl)methanone
CID 69381395
[5-(2,2-Dimethylpropyl)-3-fluoro-1,2,4-triazol-1-yl]-(1,2,4-triazol-1-yl)methanone
CID 69381567
(3-Fluoro-5-propan-2-yl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 69381734
[5-Pentyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-(1,2,4-triazol-1-yl)methanone
CID 69381830
(5-Fluoro-3-propan-2-yl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 69381856
[3-Ethyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]-(1,2,4-triazol-1-yl)methanone
CID 69381875
[3-Pentyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]-(1,2,4-triazol-1-yl)methanone
CID 69382046
(3-Fluoro-5-propyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 69382248
(3-Butyl-5-fluoro-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 69382274
[3-(2,2-Dimethylpropyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]-(1,2,4-triazol-1-yl)methanone
CID 69382391

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-3-ethyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone?
The IUPAC name of (5-tert-butyl-3-ethyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone (CID 69388164) is (5-tert-butyl-3-ethyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone.
What is the SMILES notation for (5-tert-butyl-3-ethyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone?
The canonical SMILES for (5-tert-butyl-3-ethyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone is CCc1nc(C(C)(C)C)n(C(=O)n2cncn2)n1.
What is the InChIKey of (5-tert-butyl-3-ethyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone?
The InChIKey is ZYSVKKVGOREMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-5-8-14-9(11(2,3)4)17(15-8)10(18)16-7-12-6-13-16/h6-7H,5H2,1-4H3.
What are the key properties of (5-tert-butyl-3-ethyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone?
(5-tert-butyl-3-ethyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone has a molecular weight of 248.29 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-3-ethyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone is sourced from PubChem (CID 69388164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).