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

C19H20FN5 — CID 3794549

IUPAC7-(4-ethylphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCCc1ccc(C2CC(c3ccc(F)cc3)Nc3nc(N)nn32)cc1
InChIInChI=1S/C19H20FN5/c1-2-12-3-5-14(6-4-12)17-11-16(13-7-9-15(20)10-8-13)22-19-23-18(21)24-25(17)19/h3-10,16-17H,2,11H2,1H3,(H3,21,22,23,24)
InChIKeyQNTXKYZDYHUOTN-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.71
Rot. Bonds3

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

7-(4-ethylphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 3794549) has the molecular formula C19H20FN5 and a molecular weight of 337.40 g/mol. Its IUPAC name is 7-(4-ethylphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(4-ethylphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID3794549
Molecular FormulaC19H20FN5
Molecular Weight337.40 g/mol
Exact Mass337.17
IUPAC Name7-(4-ethylphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCCc1ccc(C2CC(c3ccc(F)cc3)Nc3nc(N)nn32)cc1
InChIInChI=1S/C19H20FN5/c1-2-12-3-5-14(6-4-12)17-11-16(13-7-9-15(20)10-8-13)22-19-23-18(21)24-25(17)19/h3-10,16-17H,2,11H2,1H3,(H3,21,22,23,24)
InChIKeyQNTXKYZDYHUOTN-UHFFFAOYSA-N
XLogP3.71
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-(4-ethylphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 3794549) is 7-(4-ethylphenyl)-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-(4-ethylphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-(4-ethylphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is CCc1ccc(C2CC(c3ccc(F)cc3)Nc3nc(N)nn32)cc1.
What is the InChIKey of 7-(4-ethylphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is QNTXKYZDYHUOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5/c1-2-12-3-5-14(6-4-12)17-11-16(13-7-9-15(20)10-8-13)22-19-23-18(21)24-25(17)19/h3-10,16-17H,2,11H2,1H3,(H3,21,22,23,24).
What are the key properties of 7-(4-ethylphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
7-(4-ethylphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 337.40 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethylphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 3794549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).