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

C17H16FN5 — CID 3822454

IUPAC5-(4-fluorophenyl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2n(n1)C(c1ccccc1)CC(c1ccc(F)cc1)N2
InChIInChI=1S/C17H16FN5/c18-13-8-6-11(7-9-13)14-10-15(12-4-2-1-3-5-12)23-17(20-14)21-16(19)22-23/h1-9,14-15H,10H2,(H3,19,20,21,22)
InChIKeyIPTAKXBCVHXFHW-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.15
Rot. Bonds2

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

5-(4-fluorophenyl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 3822454) has the molecular formula C17H16FN5 and a molecular weight of 309.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID3822454
Molecular FormulaC17H16FN5
Molecular Weight309.35 g/mol
Exact Mass309.14
IUPAC Name5-(4-fluorophenyl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2n(n1)C(c1ccccc1)CC(c1ccc(F)cc1)N2
InChIInChI=1S/C17H16FN5/c18-13-8-6-11(7-9-13)14-10-15(12-4-2-1-3-5-12)23-17(20-14)21-16(19)22-23/h1-9,14-15H,10H2,(H3,19,20,21,22)
InChIKeyIPTAKXBCVHXFHW-UHFFFAOYSA-N
XLogP3.15
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 3822454) is 5-(4-fluorophenyl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Nc1nc2n(n1)C(c1ccccc1)CC(c1ccc(F)cc1)N2.
What is the InChIKey of 5-(4-fluorophenyl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is IPTAKXBCVHXFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5/c18-13-8-6-11(7-9-13)14-10-15(12-4-2-1-3-5-12)23-17(20-14)21-16(19)22-23/h1-9,14-15H,10H2,(H3,19,20,21,22).
What are the key properties of 5-(4-fluorophenyl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
5-(4-fluorophenyl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 309.35 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 3822454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).