[3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl] carbamate

C12H9F3N6O4 — CID 175397905

IUPAC[3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl] carbamate
SMILESCn1nnc(-c2ccc3c(n2)OC(C(F)(F)F)C(=O)N3)c1OC(N)=O
InChIInChI=1S/C12H9F3N6O4/c1-21-10(25-11(16)23)6(19-20-21)4-2-3-5-9(18-4)24-7(8(22)17-5)12(13,14)15/h2-3,7H,1H3,(H2,16,23)(H,17,22)
InChIKeyJEKIKMFNANYADF-UHFFFAOYSA-N
MW358.24 g/mol
LogP0.60
Rot. Bonds2

About [3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl] carbamate

[3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl] carbamate (PubChem CID 175397905) has the molecular formula C12H9F3N6O4 and a molecular weight of 358.24 g/mol. Its IUPAC name is [3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl] carbamate.

Molecular Properties

Compound Name[3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl] carbamate
PubChem CID175397905
Molecular FormulaC12H9F3N6O4
Molecular Weight358.24 g/mol
Exact Mass358.06
IUPAC Name[3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl] carbamate
SMILESCn1nnc(-c2ccc3c(n2)OC(C(F)(F)F)C(=O)N3)c1OC(N)=O
InChIInChI=1S/C12H9F3N6O4/c1-21-10(25-11(16)23)6(19-20-21)4-2-3-5-9(18-4)24-7(8(22)17-5)12(13,14)15/h2-3,7H,1H3,(H2,16,23)(H,17,22)
InChIKeyJEKIKMFNANYADF-UHFFFAOYSA-N
XLogP0.60
TPSA134.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl] carbamate?
The IUPAC name of [3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl] carbamate (CID 175397905) is [3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl] carbamate.
What is the SMILES notation for [3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl] carbamate?
The canonical SMILES for [3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl] carbamate is Cn1nnc(-c2ccc3c(n2)OC(C(F)(F)F)C(=O)N3)c1OC(N)=O.
What is the InChIKey of [3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl] carbamate?
The InChIKey is JEKIKMFNANYADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N6O4/c1-21-10(25-11(16)23)6(19-20-21)4-2-3-5-9(18-4)24-7(8(22)17-5)12(13,14)15/h2-3,7H,1H3,(H2,16,23)(H,17,22).
What are the key properties of [3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl] carbamate?
[3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl] carbamate has a molecular weight of 358.24 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl] carbamate is sourced from PubChem (CID 175397905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).