5-[5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)furan-2-yl]-2H-tetrazole

C19H15N15O — CID 141159995

About 5-[5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)furan-2-yl]-2H-tetrazole

5-[5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)furan-2-yl]-2H-tetrazole (PubChem CID 141159995) has the molecular formula C19H15N15O and a molecular weight of 469.43 g/mol. Its IUPAC name is 5-[5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)furan-2-yl]-2H-tetrazole.

Molecular Properties

• Compound Name: 5-[5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)furan-2-yl]-2H-tetrazole
• PubChem CID: 141159995
• Molecular Formula: C19H15N15O
• Molecular Weight: 469.43 g/mol
• Exact Mass: 469.16
• IUPAC Name: 5-[5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)furan-2-yl]-2H-tetrazole
• SMILES: c1c[nH]c(C2(c3ncn[nH]3)C(c3cn[nH]n3)=C(c3ncc[nH]3)OC2(c2nn[nH]n2)c2ccn[nH]2)c1
• InChI: InChI=1S/C19H15N15O/c1-2-11(20-4-1)18(16-23-9-26-29-16)13(10-8-25-32-27-10)14(15-21-6-7-22-15)35-19(18,12-3-5-24-28-12)17-30-33-34-31-17/h1-9,20H,(H,21,22)(H,24,28)(H,23,26,29)(H,25,27,32)(H,30,31,33,34)
• InChIKey: RWEQLUASUJPYAL-UHFFFAOYSA-N
• XLogP: 0.04
• TPSA: 219.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.43
LogP ≤ 5	0.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)furan-2-yl]-2H-tetrazole?

The IUPAC name of 5-[5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)furan-2-yl]-2H-tetrazole (CID 141159995) is 5-[5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)furan-2-yl]-2H-tetrazole.

What is the SMILES notation for 5-[5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)furan-2-yl]-2H-tetrazole?

The canonical SMILES for 5-[5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)furan-2-yl]-2H-tetrazole is c1c[nH]c(C2(c3ncn[nH]3)C(c3cn[nH]n3)=C(c3ncc[nH]3)OC2(c2nn[nH]n2)c2ccn[nH]2)c1.

What is the InChIKey of 5-[5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)furan-2-yl]-2H-tetrazole?

The InChIKey is RWEQLUASUJPYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N15O/c1-2-11(20-4-1)18(16-23-9-26-29-16)13(10-8-25-32-27-10)14(15-21-6-7-22-15)35-19(18,12-3-5-24-28-12)17-30-33-34-31-17/h1-9,20H,(H,21,22)(H,24,28)(H,23,26,29)(H,25,27,32)(H,30,31,33,34).

What are the key properties of 5-[5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)furan-2-yl]-2H-tetrazole?

5-[5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)furan-2-yl]-2H-tetrazole has a molecular weight of 469.43 g/mol, XLogP of 0.04, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)furan-2-yl]-2H-tetrazole is sourced from PubChem (CID 141159995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).