6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

C19H13F3N4O2 — CID 3670747

IUPAC6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c(=O)n3ccccc3nc21
InChIInChI=1S/C19H13F3N4O2/c1-25-14(17(27)23-12-6-4-5-11(9-12)19(20,21)22)10-13-16(25)24-15-7-2-3-8-26(15)18(13)28/h2-10H,1H3,(H,23,27)
InChIKeyZTAJMKZYAUOZNO-UHFFFAOYSA-N
MW386.33 g/mol
LogP3.46
Rot. Bonds2

About 6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 3670747) has the molecular formula C19H13F3N4O2 and a molecular weight of 386.33 g/mol. Its IUPAC name is 6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.

Molecular Properties

Compound Name6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID3670747
Molecular FormulaC19H13F3N4O2
Molecular Weight386.33 g/mol
Exact Mass386.10
IUPAC Name6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c(=O)n3ccccc3nc21
InChIInChI=1S/C19H13F3N4O2/c1-25-14(17(27)23-12-6-4-5-11(9-12)19(20,21)22)10-13-16(25)24-15-7-2-3-8-26(15)18(13)28/h2-10H,1H3,(H,23,27)
InChIKeyZTAJMKZYAUOZNO-UHFFFAOYSA-N
XLogP3.46
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The IUPAC name of 6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CID 3670747) is 6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.
What is the SMILES notation for 6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The canonical SMILES for 6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is Cn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c(=O)n3ccccc3nc21.
What is the InChIKey of 6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is ZTAJMKZYAUOZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O2/c1-25-14(17(27)23-12-6-4-5-11(9-12)19(20,21)22)10-13-16(25)24-15-7-2-3-8-26(15)18(13)28/h2-10H,1H3,(H,23,27).
What are the key properties of 6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide has a molecular weight of 386.33 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is sourced from PubChem (CID 3670747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).