N,N-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine

C11H10F6N4 — CID 71708636

IUPACN,N-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine
SMILESCN(C)C1=NC(C(F)(F)F)(C(F)(F)F)N=C2C=CC=CN21
InChIInChI=1S/C11H10F6N4/c1-20(2)8-19-9(10(12,13)14,11(15,16)17)18-7-5-3-4-6-21(7)8/h3-6H,1-2H3
InChIKeyNQHIXUOVBXDAOY-UHFFFAOYSA-N
MW312.22 g/mol
LogP2.52
Rot. Bonds

About N,N-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine

N,N-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine (PubChem CID 71708636) has the molecular formula C11H10F6N4 and a molecular weight of 312.22 g/mol. Its IUPAC name is N,N-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine
PubChem CID71708636
Molecular FormulaC11H10F6N4
Molecular Weight312.22 g/mol
Exact Mass312.08
IUPAC NameN,N-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine
SMILESCN(C)C1=NC(C(F)(F)F)(C(F)(F)F)N=C2C=CC=CN21
InChIInChI=1S/C11H10F6N4/c1-20(2)8-19-9(10(12,13)14,11(15,16)17)18-7-5-3-4-6-21(7)8/h3-6H,1-2H3
InChIKeyNQHIXUOVBXDAOY-UHFFFAOYSA-N
XLogP2.52
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine?
The IUPAC name of N,N-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine (CID 71708636) is N,N-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N,N-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine?
The canonical SMILES for N,N-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine is CN(C)C1=NC(C(F)(F)F)(C(F)(F)F)N=C2C=CC=CN21.
What is the InChIKey of N,N-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine?
The InChIKey is NQHIXUOVBXDAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6N4/c1-20(2)8-19-9(10(12,13)14,11(15,16)17)18-7-5-3-4-6-21(7)8/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine?
N,N-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine has a molecular weight of 312.22 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 71708636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).