N-(2-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C11H13F3N4O2 — CID 167950959

IUPACN-(2-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCn1ncnc1NC(=O)C1C2CCC(O2)C1C(F)(F)F
InChIInChI=1S/C11H13F3N4O2/c1-18-10(15-4-16-18)17-9(19)7-5-2-3-6(20-5)8(7)11(12,13)14/h4-8H,2-3H2,1H3,(H,15,16,17,19)
InChIKeyKZOXIOQNWPNIFU-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.11
Rot. Bonds2

About N-(2-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

N-(2-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 167950959) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is N-(2-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID167950959
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC NameN-(2-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCn1ncnc1NC(=O)C1C2CCC(O2)C1C(F)(F)F
InChIInChI=1S/C11H13F3N4O2/c1-18-10(15-4-16-18)17-9(19)7-5-2-3-6(20-5)8(7)11(12,13)14/h4-8H,2-3H2,1H3,(H,15,16,17,19)
InChIKeyKZOXIOQNWPNIFU-UHFFFAOYSA-N
XLogP1.11
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 167950959) is N-(2-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is Cn1ncnc1NC(=O)C1C2CCC(O2)C1C(F)(F)F.
What is the InChIKey of N-(2-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is KZOXIOQNWPNIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c1-18-10(15-4-16-18)17-9(19)7-5-2-3-6(20-5)8(7)11(12,13)14/h4-8H,2-3H2,1H3,(H,15,16,17,19).
What are the key properties of N-(2-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
N-(2-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 290.25 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 167950959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).