7-amino-5-(4-fluorophenyl)-2-pyridin-3-yl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

C17H12FN7 — CID 155810346

About 7-amino-5-(4-fluorophenyl)-2-pyridin-3-yl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-5-(4-fluorophenyl)-2-pyridin-3-yl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 155810346) has the molecular formula C17H12FN7 and a molecular weight of 333.33 g/mol. Its IUPAC name is 7-amino-5-(4-fluorophenyl)-2-pyridin-3-yl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

• Compound Name: 7-amino-5-(4-fluorophenyl)-2-pyridin-3-yl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
• PubChem CID: 155810346
• Molecular Formula: C17H12FN7
• Molecular Weight: 333.33 g/mol
• Exact Mass: 333.11
• IUPAC Name: 7-amino-5-(4-fluorophenyl)-2-pyridin-3-yl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
• SMILES: N#CC1=C(N)n2nc(-c3cccnc3)nc2NC1c1ccc(F)cc1
• InChI: InChI=1S/C17H12FN7/c18-12-5-3-10(4-6-12)14-13(8-19)15(20)25-17(22-14)23-16(24-25)11-2-1-7-21-9-11/h1-7,9,14H,20H2,(H,22,23,24)
• InChIKey: RWGRDUZVXNDWEI-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 105.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.33
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(4-fluorophenyl)-2-pyridin-3-yl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?

The IUPAC name of 7-amino-5-(4-fluorophenyl)-2-pyridin-3-yl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (CID 155810346) is 7-amino-5-(4-fluorophenyl)-2-pyridin-3-yl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile.

What is the SMILES notation for 7-amino-5-(4-fluorophenyl)-2-pyridin-3-yl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?

The canonical SMILES for 7-amino-5-(4-fluorophenyl)-2-pyridin-3-yl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is N#CC1=C(N)n2nc(-c3cccnc3)nc2NC1c1ccc(F)cc1.

What is the InChIKey of 7-amino-5-(4-fluorophenyl)-2-pyridin-3-yl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?

The InChIKey is RWGRDUZVXNDWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN7/c18-12-5-3-10(4-6-12)14-13(8-19)15(20)25-17(22-14)23-16(24-25)11-2-1-7-21-9-11/h1-7,9,14H,20H2,(H,22,23,24).

What are the key properties of 7-amino-5-(4-fluorophenyl)-2-pyridin-3-yl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?

7-amino-5-(4-fluorophenyl)-2-pyridin-3-yl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 333.33 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-5-(4-fluorophenyl)-2-pyridin-3-yl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 155810346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).