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

C10H7F6N3 — CID 5226153

IUPAC4-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=CC=CN12
InChIInChI=1S/C10H7F6N3/c1-6-17-8(9(11,12)13,10(14,15)16)18-7-4-2-3-5-19(6)7/h2-5H,1H3
InChIKeyDTRJWPBUGCDDKG-UHFFFAOYSA-N
MW283.18 g/mol
LogP3.02
Rot. Bonds

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

4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (PubChem CID 5226153) has the molecular formula C10H7F6N3 and a molecular weight of 283.18 g/mol. Its IUPAC name is 4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.

Molecular Properties

Compound Name4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
PubChem CID5226153
Molecular FormulaC10H7F6N3
Molecular Weight283.18 g/mol
Exact Mass283.05
IUPAC Name4-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=CC=CN12
InChIInChI=1S/C10H7F6N3/c1-6-17-8(9(11,12)13,10(14,15)16)18-7-4-2-3-5-19(6)7/h2-5H,1H3
InChIKeyDTRJWPBUGCDDKG-UHFFFAOYSA-N
XLogP3.02
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The IUPAC name of 4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (CID 5226153) is 4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.
What is the SMILES notation for 4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The canonical SMILES for 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=CC=CN12.
What is the InChIKey of 4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The InChIKey is DTRJWPBUGCDDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6N3/c1-6-17-8(9(11,12)13,10(14,15)16)18-7-4-2-3-5-19(6)7/h2-5H,1H3.
What are the key properties of 4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine has a molecular weight of 283.18 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is sourced from PubChem (CID 5226153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).