N,N,9-trimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine

C12H12F6N4 — CID 17390129

IUPACN,N,9-trimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine
SMILESCC1=CC=CN2C1=NC(C(F)(F)F)(C(F)(F)F)N=C2N(C)C
InChIInChI=1S/C12H12F6N4/c1-7-5-4-6-22-8(7)19-10(11(13,14)15,12(16,17)18)20-9(22)21(2)3/h4-6H,1-3H3
InChIKeyUGYDTNVAKBJCMW-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.91
Rot. Bonds

About N,N,9-trimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine

N,N,9-trimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine (PubChem CID 17390129) has the molecular formula C12H12F6N4 and a molecular weight of 326.24 g/mol. Its IUPAC name is N,N,9-trimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN,N,9-trimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine
PubChem CID17390129
Molecular FormulaC12H12F6N4
Molecular Weight326.24 g/mol
Exact Mass326.10
IUPAC NameN,N,9-trimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine
SMILESCC1=CC=CN2C1=NC(C(F)(F)F)(C(F)(F)F)N=C2N(C)C
InChIInChI=1S/C12H12F6N4/c1-7-5-4-6-22-8(7)19-10(11(13,14)15,12(16,17)18)20-9(22)21(2)3/h4-6H,1-3H3
InChIKeyUGYDTNVAKBJCMW-UHFFFAOYSA-N
XLogP2.91
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N,9-trimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,9-dimethyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 5147575
N-methyl-1-prop-1-en-2-yl-3-(trifluoromethyl)pyridin-2-imine
CID 156651628
12-(Trifluoromethyl)-2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
CID 163237446
N,N-dimethyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazin-4-amine
CID 71708636

Frequently Asked Questions

What is the IUPAC name of N,N,9-trimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine?
The IUPAC name of N,N,9-trimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine (CID 17390129) is N,N,9-trimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N,N,9-trimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine?
The canonical SMILES for N,N,9-trimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine is CC1=CC=CN2C1=NC(C(F)(F)F)(C(F)(F)F)N=C2N(C)C.
What is the InChIKey of N,N,9-trimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine?
The InChIKey is UGYDTNVAKBJCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6N4/c1-7-5-4-6-22-8(7)19-10(11(13,14)15,12(16,17)18)20-9(22)21(2)3/h4-6H,1-3H3.
What are the key properties of N,N,9-trimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine?
N,N,9-trimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine has a molecular weight of 326.24 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,9-trimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 17390129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).