3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one

C13H24N4O — CID 79064365

IUPAC3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
SMILESCCN(CC)C(C)(CC)C(=O)Cc1ncnn1C
InChIInChI=1S/C13H24N4O/c1-6-13(4,17(7-2)8-3)11(18)9-12-14-10-15-16(12)5/h10H,6-9H2,1-5H3
InChIKeySHMRLIIZRIGVGI-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.44
Rot. Bonds7

About 3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one

3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one (PubChem CID 79064365) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one.

Molecular Properties

Compound Name3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
PubChem CID79064365
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
SMILESCCN(CC)C(C)(CC)C(=O)Cc1ncnn1C
InChIInChI=1S/C13H24N4O/c1-6-13(4,17(7-2)8-3)11(18)9-12-14-10-15-16(12)5/h10H,6-9H2,1-5H3
InChIKeySHMRLIIZRIGVGI-UHFFFAOYSA-N
XLogP1.44
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one 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

3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
CID 114980061
3-ethoxy-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
CID 116747050
3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 79064254
3-(diethylamino)-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 79061531
3-(dimethylamino)-3-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-one
CID 79052168
4-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)hex-3-en-2-one
CID 103458861
4,4,4-trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)butan-2-one
CID 103311493
5-[2-(bromomethyl)-2-methylbutyl]-1-methyl-1,2,4-triazole
CID 66049188
3-amino-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-one
CID 116551792
5,5,5-trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
CID 79952995
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 105109337
3-(diethylamino)-3-methyl-1-(1-methylimidazol-2-yl)butan-2-one
CID 79743734

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one?
The IUPAC name of 3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one (CID 79064365) is 3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one.
What is the SMILES notation for 3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one?
The canonical SMILES for 3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one is CCN(CC)C(C)(CC)C(=O)Cc1ncnn1C.
What is the InChIKey of 3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one?
The InChIKey is SHMRLIIZRIGVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-13(4,17(7-2)8-3)11(18)9-12-14-10-15-16(12)5/h10H,6-9H2,1-5H3.
What are the key properties of 3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one?
3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one has a molecular weight of 252.36 g/mol, XLogP of 1.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one is sourced from PubChem (CID 79064365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).