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

C14H12F3N5O — CID 71595131

IUPACN-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(Nc2cc(C)nc3nc(C(F)(F)F)nn23)cc1
InChIInChI=1S/C14H12F3N5O/c1-8-7-11(19-9-3-5-10(23-2)6-4-9)22-13(18-8)20-12(21-22)14(15,16)17/h3-7,19H,1-2H3
InChIKeyQYDSYITWNDRVPY-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.20
Rot. Bonds3

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

N-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71595131) has the molecular formula C14H12F3N5O and a molecular weight of 323.28 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID71595131
Molecular FormulaC14H12F3N5O
Molecular Weight323.28 g/mol
Exact Mass323.10
IUPAC NameN-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(Nc2cc(C)nc3nc(C(F)(F)F)nn23)cc1
InChIInChI=1S/C14H12F3N5O/c1-8-7-11(19-9-3-5-10(23-2)6-4-9)22-13(18-8)20-12(21-22)14(15,16)17/h3-7,19H,1-2H3
InChIKeyQYDSYITWNDRVPY-UHFFFAOYSA-N
XLogP3.20
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 71595131) is N-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1ccc(Nc2cc(C)nc3nc(C(F)(F)F)nn23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QYDSYITWNDRVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O/c1-8-7-11(19-9-3-5-10(23-2)6-4-9)22-13(18-8)20-12(21-22)14(15,16)17/h3-7,19H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 323.28 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71595131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).