N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C18H19F4N5 — CID 134611347

IUPACN-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(c2ccc(C(F)(F)F)c(F)c2)C(C)(C)C)n2ncnc2n1
InChIInChI=1S/C18H19F4N5/c1-10-7-14(27-16(25-10)23-9-24-27)26-15(17(2,3)4)11-5-6-12(13(19)8-11)18(20,21)22/h5-9,15,26H,1-4H3
InChIKeyCPGWZBGSHRCTRP-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.79
Rot. Bonds3

About N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 134611347) has the molecular formula C18H19F4N5 and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID134611347
Molecular FormulaC18H19F4N5
Molecular Weight381.38 g/mol
Exact Mass381.16
IUPAC NameN-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(c2ccc(C(F)(F)F)c(F)c2)C(C)(C)C)n2ncnc2n1
InChIInChI=1S/C18H19F4N5/c1-10-7-14(27-16(25-10)23-9-24-27)26-15(17(2,3)4)11-5-6-12(13(19)8-11)18(20,21)22/h5-9,15,26H,1-4H3
InChIKeyCPGWZBGSHRCTRP-UHFFFAOYSA-N
XLogP4.79
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-5-methyl-[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

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 134611347) is N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC(c2ccc(C(F)(F)F)c(F)c2)C(C)(C)C)n2ncnc2n1.
What is the InChIKey of N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CPGWZBGSHRCTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F4N5/c1-10-7-14(27-16(25-10)23-9-24-27)26-15(17(2,3)4)11-5-6-12(13(19)8-11)18(20,21)22/h5-9,15,26H,1-4H3.
What are the key properties of N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 381.38 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 134611347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).