7-(2-ethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C19H20FN5O — CID 4562813

IUPAC7-(2-ethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCCOc1ccccc1C1CC(c2ccc(F)cc2)Nc2nc(N)nn21
InChIInChI=1S/C19H20FN5O/c1-2-26-17-6-4-3-5-14(17)16-11-15(12-7-9-13(20)10-8-12)22-19-23-18(21)24-25(16)19/h3-10,15-16H,2,11H2,1H3,(H3,21,22,23,24)
InChIKeyXSWVLLHCMKCQLZ-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.54
Rot. Bonds4

About 7-(2-ethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

7-(2-ethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 4562813) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 7-(2-ethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(2-ethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID4562813
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name7-(2-ethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCCOc1ccccc1C1CC(c2ccc(F)cc2)Nc2nc(N)nn21
InChIInChI=1S/C19H20FN5O/c1-2-26-17-6-4-3-5-14(17)16-11-15(12-7-9-13(20)10-8-12)22-19-23-18(21)24-25(16)19/h3-10,15-16H,2,11H2,1H3,(H3,21,22,23,24)
InChIKeyXSWVLLHCMKCQLZ-UHFFFAOYSA-N
XLogP3.54
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-ethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-(2-ethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 4562813) is 7-(2-ethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 7-(2-ethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-(2-ethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is CCOc1ccccc1C1CC(c2ccc(F)cc2)Nc2nc(N)nn21.
What is the InChIKey of 7-(2-ethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is XSWVLLHCMKCQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-2-26-17-6-4-3-5-14(17)16-11-15(12-7-9-13(20)10-8-12)22-19-23-18(21)24-25(16)19/h3-10,15-16H,2,11H2,1H3,(H3,21,22,23,24).
What are the key properties of 7-(2-ethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
7-(2-ethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 353.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 4562813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).