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

C12H8F3N5 — CID 25263421

IUPAC5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(F)c(F)c2F)n2ncnc2n1
InChIInChI=1S/C12H8F3N5/c1-6-4-9(20-12(18-6)16-5-17-20)19-8-3-2-7(13)10(14)11(8)15/h2-5,19H,1H3
InChIKeyLEDSCGQQWMMQAD-UHFFFAOYSA-N
MW279.23 g/mol
LogP2.59
Rot. Bonds2

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

5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 25263421) has the molecular formula C12H8F3N5 and a molecular weight of 279.23 g/mol. Its IUPAC name is 5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID25263421
Molecular FormulaC12H8F3N5
Molecular Weight279.23 g/mol
Exact Mass279.07
IUPAC Name5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(F)c(F)c2F)n2ncnc2n1
InChIInChI=1S/C12H8F3N5/c1-6-4-9(20-12(18-6)16-5-17-20)19-8-3-2-7(13)10(14)11(8)15/h2-5,19H,1H3
InChIKeyLEDSCGQQWMMQAD-UHFFFAOYSA-N
XLogP2.59
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 25263421) is 5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc(F)c(F)c2F)n2ncnc2n1.
What is the InChIKey of 5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LEDSCGQQWMMQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5/c1-6-4-9(20-12(18-6)16-5-17-20)19-8-3-2-7(13)10(14)11(8)15/h2-5,19H,1H3.
What are the key properties of 5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 279.23 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 25263421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).