3,3,3-trifluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide

C8H11F3N4O — CID 64511374

IUPAC3,3,3-trifluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCc1nc(CN(C)C(=O)CC(F)(F)F)n[nH]1
InChIInChI=1S/C8H11F3N4O/c1-5-12-6(14-13-5)4-15(2)7(16)3-8(9,10)11/h3-4H2,1-2H3,(H,12,13,14)
InChIKeyYPWARXNRNSQYBQ-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.02
Rot. Bonds3

About 3,3,3-trifluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide

3,3,3-trifluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 64511374) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID64511374
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name3,3,3-trifluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCc1nc(CN(C)C(=O)CC(F)(F)F)n[nH]1
InChIInChI=1S/C8H11F3N4O/c1-5-12-6(14-13-5)4-15(2)7(16)3-8(9,10)11/h3-4H2,1-2H3,(H,12,13,14)
InChIKeyYPWARXNRNSQYBQ-UHFFFAOYSA-N
XLogP1.02
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide (CID 64511374) is 3,3,3-trifluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide is Cc1nc(CN(C)C(=O)CC(F)(F)F)n[nH]1.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is YPWARXNRNSQYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-5-12-6(14-13-5)4-15(2)7(16)3-8(9,10)11/h3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 3,3,3-trifluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide?
3,3,3-trifluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 236.20 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 64511374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).