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

C17H15F2N5 — CID 663106

IUPAC5,7-bis(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2n(n1)C(c1ccc(F)cc1)CC(c1ccc(F)cc1)N2
InChIInChI=1S/C17H15F2N5/c18-12-5-1-10(2-6-12)14-9-15(11-3-7-13(19)8-4-11)24-17(21-14)22-16(20)23-24/h1-8,14-15H,9H2,(H3,20,21,22,23)
InChIKeyBKLJCXJMGOMPAX-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.28
Rot. Bonds2

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

5,7-bis(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 663106) has the molecular formula C17H15F2N5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 5,7-bis(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5,7-bis(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID663106
Molecular FormulaC17H15F2N5
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name5,7-bis(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2n(n1)C(c1ccc(F)cc1)CC(c1ccc(F)cc1)N2
InChIInChI=1S/C17H15F2N5/c18-12-5-1-10(2-6-12)14-9-15(11-3-7-13(19)8-4-11)24-17(21-14)22-16(20)23-24/h1-8,14-15H,9H2,(H3,20,21,22,23)
InChIKeyBKLJCXJMGOMPAX-UHFFFAOYSA-N
XLogP3.28
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5,7-bis(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5,7-bis(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 663106) is 5,7-bis(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5,7-bis(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5,7-bis(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Nc1nc2n(n1)C(c1ccc(F)cc1)CC(c1ccc(F)cc1)N2.
What is the InChIKey of 5,7-bis(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is BKLJCXJMGOMPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5/c18-12-5-1-10(2-6-12)14-9-15(11-3-7-13(19)8-4-11)24-17(21-14)22-16(20)23-24/h1-8,14-15H,9H2,(H3,20,21,22,23).
What are the key properties of 5,7-bis(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
5,7-bis(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 327.34 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 663106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).