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

C11H9F6N3 — CID 17390122

IUPAC4,7-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCC1=CN2C(C)=NC(C(F)(F)F)(C(F)(F)F)N=C2C=C1
InChIInChI=1S/C11H9F6N3/c1-6-3-4-8-19-9(10(12,13)14,11(15,16)17)18-7(2)20(8)5-6/h3-5H,1-2H3
InChIKeyQRWSABBEFXGNJT-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.41
Rot. Bonds

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

4,7-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (PubChem CID 17390122) has the molecular formula C11H9F6N3 and a molecular weight of 297.20 g/mol. Its IUPAC name is 4,7-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.

Molecular Properties

Compound Name4,7-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
PubChem CID17390122
Molecular FormulaC11H9F6N3
Molecular Weight297.20 g/mol
Exact Mass297.07
IUPAC Name4,7-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCC1=CN2C(C)=NC(C(F)(F)F)(C(F)(F)F)N=C2C=C1
InChIInChI=1S/C11H9F6N3/c1-6-3-4-8-19-9(10(12,13)14,11(15,16)17)18-7(2)20(8)5-6/h3-5H,1-2H3
InChIKeyQRWSABBEFXGNJT-UHFFFAOYSA-N
XLogP3.41
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,8-dimethyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 6624631
4-ethyl-6,8-dimethyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 571892
9-chloro-4-methyl-2,2,7-tris(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 601885
4,9-dimethyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 5147575
4-methyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 5226153
4,6-Dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-4-ium
CID 123549338
1-ethenyl-N-methyl-5-(trifluoromethyl)pyridin-2-imine
CID 146477817
N-methyl-1-prop-1-en-2-yl-4-(trifluoromethyl)pyridin-2-imine
CID 156651505
Ethane;7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine
CID 156746972
1-[3-bromo-2-(trifluoromethyl)-4H-pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylmethanamine
CID 177778358
2,4-Difluoro-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine
CID 15517147
2,4-Difluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine
CID 101033013

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The IUPAC name of 4,7-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (CID 17390122) is 4,7-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.
What is the SMILES notation for 4,7-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The canonical SMILES for 4,7-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is CC1=CN2C(C)=NC(C(F)(F)F)(C(F)(F)F)N=C2C=C1.
What is the InChIKey of 4,7-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The InChIKey is QRWSABBEFXGNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6N3/c1-6-3-4-8-19-9(10(12,13)14,11(15,16)17)18-7(2)20(8)5-6/h3-5H,1-2H3.
What are the key properties of 4,7-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
4,7-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine has a molecular weight of 297.20 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is sourced from PubChem (CID 17390122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).