4-(furan-2-yl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine

C14H9F6N3O — CID 1208090

IUPAC4-(furan-2-yl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCC1=CN2C(=NC(C(F)(F)F)(C(F)(F)F)N=C2c2ccco2)C=C1
InChIInChI=1S/C14H9F6N3O/c1-8-4-5-10-21-12(13(15,16)17,14(18,19)20)22-11(23(10)7-8)9-3-2-6-24-9/h2-7H,1H3
InChIKeyGCMBROLXAJOTHY-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.03
Rot. Bonds1

About 4-(furan-2-yl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine

4-(furan-2-yl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (PubChem CID 1208090) has the molecular formula C14H9F6N3O and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-(furan-2-yl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.

Molecular Properties

Compound Name4-(furan-2-yl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
PubChem CID1208090
Molecular FormulaC14H9F6N3O
Molecular Weight349.23 g/mol
Exact Mass349.06
IUPAC Name4-(furan-2-yl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCC1=CN2C(=NC(C(F)(F)F)(C(F)(F)F)N=C2c2ccco2)C=C1
InChIInChI=1S/C14H9F6N3O/c1-8-4-5-10-21-12(13(15,16)17,14(18,19)20)22-11(23(10)7-8)9-3-2-6-24-9/h2-7H,1H3
InChIKeyGCMBROLXAJOTHY-UHFFFAOYSA-N
XLogP4.03
TPSA41.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(furan-2-yl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine 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 4-(furan-2-yl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The IUPAC name of 4-(furan-2-yl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (CID 1208090) is 4-(furan-2-yl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.
What is the SMILES notation for 4-(furan-2-yl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The canonical SMILES for 4-(furan-2-yl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is CC1=CN2C(=NC(C(F)(F)F)(C(F)(F)F)N=C2c2ccco2)C=C1.
What is the InChIKey of 4-(furan-2-yl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The InChIKey is GCMBROLXAJOTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N3O/c1-8-4-5-10-21-12(13(15,16)17,14(18,19)20)22-11(23(10)7-8)9-3-2-6-24-9/h2-7H,1H3.
What are the key properties of 4-(furan-2-yl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
4-(furan-2-yl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine has a molecular weight of 349.23 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is sourced from PubChem (CID 1208090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).