2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-propylacetamide

C12H22N4O2 — CID 84597200

IUPAC2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C)nn(C(C)(C)C)c1=O
InChIInChI=1S/C12H22N4O2/c1-6-7-13-10(17)8-15-9(2)14-16(11(15)18)12(3,4)5/h6-8H2,1-5H3,(H,13,17)
InChIKeyDMEQAPMDIOFKCT-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.63
Rot. Bonds4

About 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-propylacetamide

2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-propylacetamide (PubChem CID 84597200) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-propylacetamide
PubChem CID84597200
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C)nn(C(C)(C)C)c1=O
InChIInChI=1S/C12H22N4O2/c1-6-7-13-10(17)8-15-9(2)14-16(11(15)18)12(3,4)5/h6-8H2,1-5H3,(H,13,17)
InChIKeyDMEQAPMDIOFKCT-UHFFFAOYSA-N
XLogP0.63
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-propylacetamide 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-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 75447205
N-tert-butyl-2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)acetamide
CID 84597866
2-(4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)-N-propylacetamide
CID 90542331
N-(tert-butyl)-2-(4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetamide
CID 90542333
6-[2-(Diethylamino)ethylamino]-2,4-di(propan-2-yl)-1,2,4-triazine-3,5-dione
CID 52167907
6-[2-(Diethylamino)ethylamino]-2,4-dipropyl-1,2,4-triazine-3,5-dione
CID 52168158
6-[[2-(Dimethylamino)-2-methylpropyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 54940972
6-[1-(Diethylamino)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 61808430
6-[2-Aminopropyl(methyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63760136
2-[1-Tert-butyl-3-(methylamino)-5-oxo-1,2,4-triazol-4-yl]acetamide
CID 67875921
2-(3-Methyl-5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)acetamide
CID 70382788
6-[(2-Amino-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 78954767

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-propylacetamide?
The IUPAC name of 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-propylacetamide (CID 84597200) is 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-propylacetamide.
What is the SMILES notation for 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-propylacetamide?
The canonical SMILES for 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-propylacetamide is CCCNC(=O)Cn1c(C)nn(C(C)(C)C)c1=O.
What is the InChIKey of 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-propylacetamide?
The InChIKey is DMEQAPMDIOFKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-6-7-13-10(17)8-15-9(2)14-16(11(15)18)12(3,4)5/h6-8H2,1-5H3,(H,13,17).
What are the key properties of 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-propylacetamide?
2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-propylacetamide has a molecular weight of 254.33 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-propylacetamide is sourced from PubChem (CID 84597200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).