9-chloro-4-methyl-2,2,7-tris(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine

C11H5ClF9N3 — CID 601885

IUPAC9-chloro-4-methyl-2,2,7-tris(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCC1=NC(C(F)(F)F)(C(F)(F)F)N=C2C(Cl)=CC(C(F)(F)F)=CN12
InChIInChI=1S/C11H5ClF9N3/c1-4-22-9(10(16,17)18,11(19,20)21)23-7-6(12)2-5(3-24(4)7)8(13,14)15/h2-3H,1H3
InChIKeyQPGPPCNKTWYDQS-UHFFFAOYSA-N
MW385.62 g/mol
LogP4.52
Rot. Bonds

About 9-chloro-4-methyl-2,2,7-tris(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine

9-chloro-4-methyl-2,2,7-tris(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (PubChem CID 601885) has the molecular formula C11H5ClF9N3 and a molecular weight of 385.62 g/mol. Its IUPAC name is 9-chloro-4-methyl-2,2,7-tris(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.

Molecular Properties

Compound Name9-chloro-4-methyl-2,2,7-tris(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
PubChem CID601885
Molecular FormulaC11H5ClF9N3
Molecular Weight385.62 g/mol
Exact Mass385.00
IUPAC Name9-chloro-4-methyl-2,2,7-tris(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCC1=NC(C(F)(F)F)(C(F)(F)F)N=C2C(Cl)=CC(C(F)(F)F)=CN12
InChIInChI=1S/C11H5ClF9N3/c1-4-22-9(10(16,17)18,11(19,20)21)23-7-6(12)2-5(3-24(4)7)8(13,14)15/h2-3H,1H3
InChIKeyQPGPPCNKTWYDQS-UHFFFAOYSA-N
XLogP4.52
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.62
LogP ≤ 54.52
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
7,9-dichloro-4-methyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 7300304
4,7-Dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
CID 17390122
7-chloro-4-methyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 56693951
3-chloro-N-(2,2-difluoroethyl)-7-methyl-6H-1,7-naphthyridin-2-amine
CID 152438993

Frequently Asked Questions

What is the IUPAC name of 9-chloro-4-methyl-2,2,7-tris(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The IUPAC name of 9-chloro-4-methyl-2,2,7-tris(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (CID 601885) is 9-chloro-4-methyl-2,2,7-tris(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.
What is the SMILES notation for 9-chloro-4-methyl-2,2,7-tris(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The canonical SMILES for 9-chloro-4-methyl-2,2,7-tris(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is CC1=NC(C(F)(F)F)(C(F)(F)F)N=C2C(Cl)=CC(C(F)(F)F)=CN12.
What is the InChIKey of 9-chloro-4-methyl-2,2,7-tris(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The InChIKey is QPGPPCNKTWYDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF9N3/c1-4-22-9(10(16,17)18,11(19,20)21)23-7-6(12)2-5(3-24(4)7)8(13,14)15/h2-3H,1H3.
What are the key properties of 9-chloro-4-methyl-2,2,7-tris(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
9-chloro-4-methyl-2,2,7-tris(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine has a molecular weight of 385.62 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-4-methyl-2,2,7-tris(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is sourced from PubChem (CID 601885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).