6-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H11BrF3N5O — CID 139369680

IUPAC6-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N)c1Cc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C14H11BrF3N5O/c1-7-9(12(19)23-13(22-7)20-6-21-23)4-8-2-3-11(10(15)5-8)24-14(16,17)18/h2-3,5-6H,4,19H2,1H3
InChIKeyUUXSNMJZWJEEAX-UHFFFAOYSA-N
MW402.17 g/mol
LogP3.27
Rot. Bonds3

About 6-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 139369680) has the molecular formula C14H11BrF3N5O and a molecular weight of 402.17 g/mol. Its IUPAC name is 6-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID139369680
Molecular FormulaC14H11BrF3N5O
Molecular Weight402.17 g/mol
Exact Mass401.01
IUPAC Name6-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N)c1Cc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C14H11BrF3N5O/c1-7-9(12(19)23-13(22-7)20-6-21-23)4-8-2-3-11(10(15)5-8)24-14(16,17)18/h2-3,5-6H,4,19H2,1H3
InChIKeyUUXSNMJZWJEEAX-UHFFFAOYSA-N
XLogP3.27
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.17
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

6-[[5-Bromo-6-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 139376873
3-(3-bromo-5-methoxyphenyl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905184
US11583532, Example 1.1
CID 139369682
US11583532, Example 4.1
CID 139369683
US11583532, Example 6.2
CID 139376876
US11583532, Example 8.1
CID 139376918
US11583532, Example 8.4
CID 155792425
US11583532, Example 7.5
CID 155792457
US11583532, Example 8.3
CID 155792465
N-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 650985
5-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 132576030
US11583532, Example 20.1
CID 139369692

Frequently Asked Questions

What is the IUPAC name of 6-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 139369680) is 6-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(N)c1Cc1ccc(OC(F)(F)F)c(Br)c1.
What is the InChIKey of 6-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UUXSNMJZWJEEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N5O/c1-7-9(12(19)23-13(22-7)20-6-21-23)4-8-2-3-11(10(15)5-8)24-14(16,17)18/h2-3,5-6H,4,19H2,1H3.
What are the key properties of 6-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 402.17 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 139369680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).