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

C9H14F3N5O — CID 79812029

IUPAC2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCc1nc(CN(C)C(=O)C(C)(N)C(F)(F)F)n[nH]1
InChIInChI=1S/C9H14F3N5O/c1-5-14-6(16-15-5)4-17(3)7(18)8(2,13)9(10,11)12/h4,13H2,1-3H3,(H,14,15,16)
InChIKeyCZOWAROPDFZXJY-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.35
Rot. Bonds3

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

2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 79812029) has the molecular formula C9H14F3N5O and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID79812029
Molecular FormulaC9H14F3N5O
Molecular Weight265.24 g/mol
Exact Mass265.12
IUPAC Name2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCc1nc(CN(C)C(=O)C(C)(N)C(F)(F)F)n[nH]1
InChIInChI=1S/C9H14F3N5O/c1-5-14-6(16-15-5)4-17(3)7(18)8(2,13)9(10,11)12/h4,13H2,1-3H3,(H,14,15,16)
InChIKeyCZOWAROPDFZXJY-UHFFFAOYSA-N
XLogP0.35
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide (CID 79812029) is 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide is Cc1nc(CN(C)C(=O)C(C)(N)C(F)(F)F)n[nH]1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is CZOWAROPDFZXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O/c1-5-14-6(16-15-5)4-17(3)7(18)8(2,13)9(10,11)12/h4,13H2,1-3H3,(H,14,15,16).
What are the key properties of 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide?
2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 265.24 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 79812029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).