N-(2-methylpropyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide

C10H13F3N4O2 — CID 55092103

IUPACN-(2-methylpropyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide
SMILESCC(C)CNC(=O)Cn1cc(C(=O)C(F)(F)F)nn1
InChIInChI=1S/C10H13F3N4O2/c1-6(2)3-14-8(18)5-17-4-7(15-16-17)9(19)10(11,12)13/h4,6H,3,5H2,1-2H3,(H,14,18)
InChIKeyGKPOJPWVVJQVRZ-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.80
Rot. Bonds5

About N-(2-methylpropyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide

N-(2-methylpropyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide (PubChem CID 55092103) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide
PubChem CID55092103
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC NameN-(2-methylpropyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide
SMILESCC(C)CNC(=O)Cn1cc(C(=O)C(F)(F)F)nn1
InChIInChI=1S/C10H13F3N4O2/c1-6(2)3-14-8(18)5-17-4-7(15-16-17)9(19)10(11,12)13/h4,6H,3,5H2,1-2H3,(H,14,18)
InChIKeyGKPOJPWVVJQVRZ-UHFFFAOYSA-N
XLogP0.80
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide (CID 55092103) is N-(2-methylpropyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide is CC(C)CNC(=O)Cn1cc(C(=O)C(F)(F)F)nn1.
What is the InChIKey of N-(2-methylpropyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide?
The InChIKey is GKPOJPWVVJQVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c1-6(2)3-14-8(18)5-17-4-7(15-16-17)9(19)10(11,12)13/h4,6H,3,5H2,1-2H3,(H,14,18).
What are the key properties of N-(2-methylpropyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide?
N-(2-methylpropyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide has a molecular weight of 278.23 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide is sourced from PubChem (CID 55092103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).