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

C10H5Cl2F6N3 — CID 7300304

IUPAC7,9-dichloro-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCC1=NC(C(F)(F)F)(C(F)(F)F)N=C2C(Cl)=CC(Cl)=CN12
InChIInChI=1S/C10H5Cl2F6N3/c1-4-19-8(9(13,14)15,10(16,17)18)20-7-6(12)2-5(11)3-21(4)7/h2-3H,1H3
InChIKeyHGEUYAVSRURLMM-UHFFFAOYSA-N
MW352.07 g/mol
LogP4.16
Rot. Bonds

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

7,9-dichloro-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (PubChem CID 7300304) has the molecular formula C10H5Cl2F6N3 and a molecular weight of 352.07 g/mol. Its IUPAC name is 7,9-dichloro-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.

Molecular Properties

Compound Name7,9-dichloro-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
PubChem CID7300304
Molecular FormulaC10H5Cl2F6N3
Molecular Weight352.07 g/mol
Exact Mass350.98
IUPAC Name7,9-dichloro-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCC1=NC(C(F)(F)F)(C(F)(F)F)N=C2C(Cl)=CC(Cl)=CN12
InChIInChI=1S/C10H5Cl2F6N3/c1-4-19-8(9(13,14)15,10(16,17)18)20-7-6(12)2-5(11)3-21(4)7/h2-3H,1H3
InChIKeyHGEUYAVSRURLMM-UHFFFAOYSA-N
XLogP4.16
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.07
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-chloro-4-methyl-2,2,7-tris(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 601885
4-methyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 5226153
7-chloro-4-methyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 56693951

Frequently Asked Questions

What is the IUPAC name of 7,9-dichloro-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The IUPAC name of 7,9-dichloro-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (CID 7300304) is 7,9-dichloro-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.
What is the SMILES notation for 7,9-dichloro-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The canonical SMILES for 7,9-dichloro-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is CC1=NC(C(F)(F)F)(C(F)(F)F)N=C2C(Cl)=CC(Cl)=CN12.
What is the InChIKey of 7,9-dichloro-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The InChIKey is HGEUYAVSRURLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F6N3/c1-4-19-8(9(13,14)15,10(16,17)18)20-7-6(12)2-5(11)3-21(4)7/h2-3H,1H3.
What are the key properties of 7,9-dichloro-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
7,9-dichloro-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine has a molecular weight of 352.07 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dichloro-4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is sourced from PubChem (CID 7300304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).