N-[3-(trifluoromethyl)oxetan-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide

C12H8F3N3O2 — CID 123449838

IUPACN-[3-(trifluoromethyl)oxetan-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide
SMILESO=C(NC1(C(F)(F)F)COC1)c1[nH]nc2c3cc-3cc12
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)11(3-20-4-11)16-10(19)9-7-2-5-1-6(5)8(7)17-18-9/h1-2H,3-4H2,(H,16,19)(H,17,18)
InChIKeyLXPHOUGHKVEJDY-UHFFFAOYSA-N
MW283.21 g/mol
LogP1.60
Rot. Bonds2

About N-[3-(trifluoromethyl)oxetan-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide

N-[3-(trifluoromethyl)oxetan-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide (PubChem CID 123449838) has the molecular formula C12H8F3N3O2 and a molecular weight of 283.21 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)oxetan-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)oxetan-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide
PubChem CID123449838
Molecular FormulaC12H8F3N3O2
Molecular Weight283.21 g/mol
Exact Mass283.06
IUPAC NameN-[3-(trifluoromethyl)oxetan-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide
SMILESO=C(NC1(C(F)(F)F)COC1)c1[nH]nc2c3cc-3cc12
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)11(3-20-4-11)16-10(19)9-7-2-5-1-6(5)8(7)17-18-9/h1-2H,3-4H2,(H,16,19)(H,17,18)
InChIKeyLXPHOUGHKVEJDY-UHFFFAOYSA-N
XLogP1.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)oxetan-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)oxetan-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide (CID 123449838) is N-[3-(trifluoromethyl)oxetan-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)oxetan-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)oxetan-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide is O=C(NC1(C(F)(F)F)COC1)c1[nH]nc2c3cc-3cc12.
What is the InChIKey of N-[3-(trifluoromethyl)oxetan-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide?
The InChIKey is LXPHOUGHKVEJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O2/c13-12(14,15)11(3-20-4-11)16-10(19)9-7-2-5-1-6(5)8(7)17-18-9/h1-2H,3-4H2,(H,16,19)(H,17,18).
What are the key properties of N-[3-(trifluoromethyl)oxetan-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide?
N-[3-(trifluoromethyl)oxetan-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide has a molecular weight of 283.21 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)oxetan-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide is sourced from PubChem (CID 123449838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).