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

C11H17F3N4O — CID 74246410

IUPAC3-(4-methyl-1,2,4-triazol-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]propanamide
SMILESCC(C)[C@@H](NC(=O)CCc1nncn1C)C(F)(F)F
InChIInChI=1S/C11H17F3N4O/c1-7(2)10(11(12,13)14)16-9(19)5-4-8-17-15-6-18(8)3/h6-7,10H,4-5H2,1-3H3,(H,16,19)/t10-/m1/s1
InChIKeyBXOWQXIRMQCHKZ-SNVBAGLBSA-N
MW278.28 g/mol
LogP1.45
Rot. Bonds5

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

3-(4-methyl-1,2,4-triazol-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]propanamide (PubChem CID 74246410) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 3-(4-methyl-1,2,4-triazol-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-methyl-1,2,4-triazol-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]propanamide
PubChem CID74246410
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name3-(4-methyl-1,2,4-triazol-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]propanamide
SMILESCC(C)[C@@H](NC(=O)CCc1nncn1C)C(F)(F)F
InChIInChI=1S/C11H17F3N4O/c1-7(2)10(11(12,13)14)16-9(19)5-4-8-17-15-6-18(8)3/h6-7,10H,4-5H2,1-3H3,(H,16,19)/t10-/m1/s1
InChIKeyBXOWQXIRMQCHKZ-SNVBAGLBSA-N
XLogP1.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,2,4-triazol-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]propanamide?
The IUPAC name of 3-(4-methyl-1,2,4-triazol-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]propanamide (CID 74246410) is 3-(4-methyl-1,2,4-triazol-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]propanamide.
What is the SMILES notation for 3-(4-methyl-1,2,4-triazol-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]propanamide?
The canonical SMILES for 3-(4-methyl-1,2,4-triazol-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]propanamide is CC(C)[C@@H](NC(=O)CCc1nncn1C)C(F)(F)F.
What is the InChIKey of 3-(4-methyl-1,2,4-triazol-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]propanamide?
The InChIKey is BXOWQXIRMQCHKZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-7(2)10(11(12,13)14)16-9(19)5-4-8-17-15-6-18(8)3/h6-7,10H,4-5H2,1-3H3,(H,16,19)/t10-/m1/s1.
What are the key properties of 3-(4-methyl-1,2,4-triazol-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]propanamide?
3-(4-methyl-1,2,4-triazol-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]propanamide has a molecular weight of 278.28 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,2,4-triazol-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]propanamide is sourced from PubChem (CID 74246410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).