2-[3-(difluoromethyl)-1,2,4-triazol-1-yl]-N,N-bis(2-methylpropyl)acetamide

C13H22F2N4O — CID 100760872

IUPAC2-[3-(difluoromethyl)-1,2,4-triazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)Cn1cnc(C(F)F)n1
InChIInChI=1S/C13H22F2N4O/c1-9(2)5-18(6-10(3)4)11(20)7-19-8-16-13(17-19)12(14)15/h8-10,12H,5-7H2,1-4H3
InChIKeyZAIHLUQQRQBFQN-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.36
Rot. Bonds7

About 2-[3-(difluoromethyl)-1,2,4-triazol-1-yl]-N,N-bis(2-methylpropyl)acetamide

2-[3-(difluoromethyl)-1,2,4-triazol-1-yl]-N,N-bis(2-methylpropyl)acetamide (PubChem CID 100760872) has the molecular formula C13H22F2N4O and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-1,2,4-triazol-1-yl]-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-1,2,4-triazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
PubChem CID100760872
Molecular FormulaC13H22F2N4O
Molecular Weight288.34 g/mol
Exact Mass288.18
IUPAC Name2-[3-(difluoromethyl)-1,2,4-triazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)Cn1cnc(C(F)F)n1
InChIInChI=1S/C13H22F2N4O/c1-9(2)5-18(6-10(3)4)11(20)7-19-8-16-13(17-19)12(14)15/h8-10,12H,5-7H2,1-4H3
InChIKeyZAIHLUQQRQBFQN-UHFFFAOYSA-N
XLogP2.36
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 71974203
2-(3,5-diethyl-1,2,4-triazol-1-yl)-N,N-diethylacetamide
CID 71974205
2-(3-tert-butyl-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide
CID 132308630
2-(2,2-Difluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175864468
1-[2-Oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-triazole-3-carbonitrile
CID 47288421
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55038292
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 61110767
2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62119005
2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 62949787
2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 63332288
2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71980989
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78932028

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-1,2,4-triazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-[3-(difluoromethyl)-1,2,4-triazol-1-yl]-N,N-bis(2-methylpropyl)acetamide (CID 100760872) is 2-[3-(difluoromethyl)-1,2,4-triazol-1-yl]-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-1,2,4-triazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-[3-(difluoromethyl)-1,2,4-triazol-1-yl]-N,N-bis(2-methylpropyl)acetamide is CC(C)CN(CC(C)C)C(=O)Cn1cnc(C(F)F)n1.
What is the InChIKey of 2-[3-(difluoromethyl)-1,2,4-triazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is ZAIHLUQQRQBFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N4O/c1-9(2)5-18(6-10(3)4)11(20)7-19-8-16-13(17-19)12(14)15/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 2-[3-(difluoromethyl)-1,2,4-triazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
2-[3-(difluoromethyl)-1,2,4-triazol-1-yl]-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 288.34 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-1,2,4-triazol-1-yl]-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 100760872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).