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

C15H12F5N5O — CID 49430311

IUPACN-[[3-(difluoromethoxy)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2cccc(OC(F)F)c2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C15H12F5N5O/c1-8-5-11(25-14(22-8)23-12(24-25)15(18,19)20)21-7-9-3-2-4-10(6-9)26-13(16)17/h2-6,13,21H,7H2,1H3
InChIKeyFREJZKDEVAPWFV-UHFFFAOYSA-N
MW373.29 g/mol
LogP3.67
Rot. Bonds5

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

N-[[3-(difluoromethoxy)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 49430311) has the molecular formula C15H12F5N5O and a molecular weight of 373.29 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID49430311
Molecular FormulaC15H12F5N5O
Molecular Weight373.29 g/mol
Exact Mass373.10
IUPAC NameN-[[3-(difluoromethoxy)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2cccc(OC(F)F)c2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C15H12F5N5O/c1-8-5-11(25-14(22-8)23-12(24-25)15(18,19)20)21-7-9-3-2-4-10(6-9)26-13(16)17/h2-6,13,21H,7H2,1H3
InChIKeyFREJZKDEVAPWFV-UHFFFAOYSA-N
XLogP3.67
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(dimethylamino)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133279688
N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 122174850
(2S)-2-N-benzyl-3,3,3-trifluoro-1-N-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propane-1,2-diamine
CID 124721244
5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133287054
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 55590946
5-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133439798
5-methyl-N-[2-(3-methyl-2-pyridinyl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 127265997
5-methyl-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 97340074
N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 4909257
methyl 2-cyclopropyl-6-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridine-3-carboxylate
CID 133460161
N-(1-benzylpyrazol-3-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133289683
5-methyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 94431648

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 49430311) is N-[[3-(difluoromethoxy)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[3-(difluoromethoxy)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[3-(difluoromethoxy)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2cccc(OC(F)F)c2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of N-[[3-(difluoromethoxy)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FREJZKDEVAPWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5N5O/c1-8-5-11(25-14(22-8)23-12(24-25)15(18,19)20)21-7-9-3-2-4-10(6-9)26-13(16)17/h2-6,13,21H,7H2,1H3.
What are the key properties of N-[[3-(difluoromethoxy)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[[3-(difluoromethoxy)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 373.29 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 49430311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).