3,3-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]butanamide

C11H16F3N5O2 — CID 51091761

IUPAC3,3-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]butanamide
SMILESCC(C)(C)CC(=O)NCC(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N5O2/c1-10(2,3)4-6(20)15-5-7(21)16-9-17-8(18-19-9)11(12,13)14/h4-5H2,1-3H3,(H,15,20)(H2,16,17,18,19,21)
InChIKeyFSRAKOPOMQQNTL-UHFFFAOYSA-N
MW307.28 g/mol
LogP1.31
Rot. Bonds4

About 3,3-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]butanamide

3,3-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]butanamide (PubChem CID 51091761) has the molecular formula C11H16F3N5O2 and a molecular weight of 307.28 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]butanamide
PubChem CID51091761
Molecular FormulaC11H16F3N5O2
Molecular Weight307.28 g/mol
Exact Mass307.13
IUPAC Name3,3-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]butanamide
SMILESCC(C)(C)CC(=O)NCC(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N5O2/c1-10(2,3)4-6(20)15-5-7(21)16-9-17-8(18-19-9)11(12,13)14/h4-5H2,1-3H3,(H,15,20)(H2,16,17,18,19,21)
InChIKeyFSRAKOPOMQQNTL-UHFFFAOYSA-N
XLogP1.31
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3,3-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]butanamide with MolForge

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Related Compounds

(2S)-2-acetamido-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pentanamide
CID 125518704
2,2-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]propanamide
CID 46548794
2-acetamido-3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide
CID 60402201
3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62793338
3-amino-N-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole-5-carboxamide
CID 63227377
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 64518253
N-(3,3-dimethylbutan-2-yl)-5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide
CID 71865353
5-tert-butyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3-carboxamide
CID 80377068
5-propyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3-carboxamide
CID 80377069
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 80377992
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 80377994
N-butyl-5-tert-butyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3-carboxamide
CID 80379750

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]butanamide (CID 51091761) is 3,3-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]butanamide is CC(C)(C)CC(=O)NCC(=O)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 3,3-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]butanamide?
The InChIKey is FSRAKOPOMQQNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O2/c1-10(2,3)4-6(20)15-5-7(21)16-9-17-8(18-19-9)11(12,13)14/h4-5H2,1-3H3,(H,15,20)(H2,16,17,18,19,21).
What are the key properties of 3,3-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]butanamide?
3,3-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]butanamide has a molecular weight of 307.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]butanamide is sourced from PubChem (CID 51091761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).