N-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C11H12F3N5 — CID 133439168

IUPACN-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESC=C(C)CN(C)c1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C11H12F3N5/c1-7(2)5-18(3)9-4-8(11(12,13)14)17-10-15-6-16-19(9)10/h4,6H,1,5H2,2-3H3
InChIKeyJODFNXMHBWJGEX-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.16
Rot. Bonds3

About N-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133439168) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is N-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133439168
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC NameN-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESC=C(C)CN(C)c1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C11H12F3N5/c1-7(2)5-18(3)9-4-8(11(12,13)14)17-10-15-6-16-19(9)10/h4,6H,1,5H2,2-3H3
InChIKeyJODFNXMHBWJGEX-UHFFFAOYSA-N
XLogP2.16
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-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

3-[methyl-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propanenitrile
CID 133370491
N-(2-cyclopropylethyl)-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133398525
N-methyl-N-(2-methylprop-2-enyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133439192
N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133460334
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 95580694
N-cyclopentyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1429528
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 78898466
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133356577
N-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133311880
2-[ethyl-[3-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]cyclobutyl]amino]acetic acid
CID 122061941
5-chloro-6-[2,6-dichloro-4-(trifluoromethyl)phenyl]-N-ethyl-N-(2-methylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 10183325
(2S,3S)-3-methyl-2-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pentanoic acid
CID 122050380

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133439168) is N-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is C=C(C)CN(C)c1cc(C(F)(F)F)nc2ncnn12.
What is the InChIKey of N-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JODFNXMHBWJGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c1-7(2)5-18(3)9-4-8(11(12,13)14)17-10-15-6-16-19(9)10/h4,6H,1,5H2,2-3H3.
What are the key properties of N-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 271.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133439168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).