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

C15H13F4N5O — CID 145221185

IUPACN-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NCc2ccc(C(F)(F)F)c(F)c2)n2ncnc2n1
InChIInChI=1S/C15H13F4N5O/c1-25-7-10-5-13(24-14(23-10)21-8-22-24)20-6-9-2-3-11(12(16)4-9)15(17,18)19/h2-5,8,20H,6-7H2,1H3
InChIKeyHICVICNLSJUGPE-UHFFFAOYSA-N
MW355.30 g/mol
LogP3.04
Rot. Bonds5

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

N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 145221185) has the molecular formula C15H13F4N5O and a molecular weight of 355.30 g/mol. Its IUPAC name is N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID145221185
Molecular FormulaC15H13F4N5O
Molecular Weight355.30 g/mol
Exact Mass355.11
IUPAC NameN-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NCc2ccc(C(F)(F)F)c(F)c2)n2ncnc2n1
InChIInChI=1S/C15H13F4N5O/c1-25-7-10-5-13(24-14(23-10)21-8-22-24)20-6-9-2-3-11(12(16)4-9)15(17,18)19/h2-5,8,20H,6-7H2,1H3
InChIKeyHICVICNLSJUGPE-UHFFFAOYSA-N
XLogP3.04
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133274366
N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 16767887
5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 130626781
N-[2-(2,4-difluorophenyl)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133302351
N-[2-(2,4-difluorophenoxy)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133291686
1-(2,6-difluorophenyl)-N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine
CID 133314695
5-(methoxymethyl)-N-[(1-methylcyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133293719
1-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol
CID 133271945
2-(furan-2-yl)-1-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol
CID 133323670
N-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133386099
N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 60965953
5-(methoxymethyl)-N-[[(1S,2R)-2-phenylcyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 99104311

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 145221185) is N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COCc1cc(NCc2ccc(C(F)(F)F)c(F)c2)n2ncnc2n1.
What is the InChIKey of N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HICVICNLSJUGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N5O/c1-25-7-10-5-13(24-14(23-10)21-8-22-24)20-6-9-2-3-11(12(16)4-9)15(17,18)19/h2-5,8,20H,6-7H2,1H3.
What are the key properties of N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 355.30 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 145221185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).