3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine

C16H12F2N8 — CID 58180006

About 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine

3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine (PubChem CID 58180006) has the molecular formula C16H12F2N8 and a molecular weight of 354.32 g/mol. Its IUPAC name is 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine
• PubChem CID: 58180006
• Molecular Formula: C16H12F2N8
• Molecular Weight: 354.32 g/mol
• Exact Mass: 354.12
• IUPAC Name: 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine
• SMILES: Cn1cncc1-c1cnc(N)c(-c2nnnn2-c2cccc(F)c2F)c1
• InChI: InChI=1S/C16H12F2N8/c1-25-8-20-7-13(25)9-5-10(15(19)21-6-9)16-22-23-24-26(16)12-4-2-3-11(17)14(12)18/h2-8H,1H3,(H2,19,21)
• InChIKey: UORXTFVZLYBKNO-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 100.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.32
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine?

The IUPAC name of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine (CID 58180006) is 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine.

What is the SMILES notation for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine?

The canonical SMILES for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine is Cn1cncc1-c1cnc(N)c(-c2nnnn2-c2cccc(F)c2F)c1.

What is the InChIKey of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine?

The InChIKey is UORXTFVZLYBKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N8/c1-25-8-20-7-13(25)9-5-10(15(19)21-6-9)16-22-23-24-26(16)12-4-2-3-11(17)14(12)18/h2-8H,1H3,(H2,19,21).

What are the key properties of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine?

3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine has a molecular weight of 354.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 58180006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).