2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone

C14H22N4O — CID 112680629

IUPAC2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCCn1ncnc1CC(=O)C1CC2CCC(C1)N2C
InChIInChI=1S/C14H22N4O/c1-3-18-14(15-9-16-18)8-13(19)10-6-11-4-5-12(7-10)17(11)2/h9-12H,3-8H2,1-2H3
InChIKeyBSLWFLMSPPCSFF-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.28
Rot. Bonds4

About 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone

2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone (PubChem CID 112680629) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
PubChem CID112680629
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCCn1ncnc1CC(=O)C1CC2CCC(C1)N2C
InChIInChI=1S/C14H22N4O/c1-3-18-14(15-9-16-18)8-13(19)10-6-11-4-5-12(7-10)17(11)2/h9-12H,3-8H2,1-2H3
InChIKeyBSLWFLMSPPCSFF-UHFFFAOYSA-N
XLogP1.28
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone 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

2-(2-ethyl-1,2,4-triazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 105111466
1-(3-aminocyclopentyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 116587159
1-(1,4-dimethylpiperazin-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanone
CID 79659230
N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 115998241
1-(2-ethyl-1,2,4-triazol-3-yl)-3-hydroxybutan-2-one
CID 103451467
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 112680633
(E)-1-(2-ethyl-1,2,4-triazol-3-yl)hex-3-en-2-one
CID 103454303
1-(2-ethyl-1,2,4-triazol-3-yl)-3-propylhexan-2-one
CID 115779150
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657756
1-cyclopropyl-1-hydroxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one
CID 103455915
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
2-(2-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 115997761

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone?
The IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone (CID 112680629) is 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone.
What is the SMILES notation for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone?
The canonical SMILES for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone is CCn1ncnc1CC(=O)C1CC2CCC(C1)N2C.
What is the InChIKey of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone?
The InChIKey is BSLWFLMSPPCSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-18-14(15-9-16-18)8-13(19)10-6-11-4-5-12(7-10)17(11)2/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone?
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone has a molecular weight of 262.36 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone is sourced from PubChem (CID 112680629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).