5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine

C22H24N12O2 — CID 159300748

About 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine

5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine (PubChem CID 159300748) has the molecular formula C22H24N12O2 and a molecular weight of 488.52 g/mol. Its IUPAC name is 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine.

Molecular Properties

• Compound Name: 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine
• PubChem CID: 159300748
• Molecular Formula: C22H24N12O2
• Molecular Weight: 488.52 g/mol
• Exact Mass: 488.21
• IUPAC Name: 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine
• SMILES: Nc1ncc(Cc2cn(Cc3ccco3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccoc3)nn2)[nH]1
• InChI: InChI=1S/2C11H12N6O/c12-11-13-4-9(14-11)3-10-6-17(16-15-10)5-8-1-2-18-7-8;12-11-13-5-8(14-11)4-9-6-17(16-15-9)7-10-2-1-3-18-10/h1-2,4,6-7H,3,5H2,(H3,12,13,14);1-3,5-6H,4,7H2,(H3,12,13,14)
• InChIKey: LBHMJNLTNXZRQP-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 197.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.52
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine?

The IUPAC name of 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine (CID 159300748) is 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine.

What is the SMILES notation for 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine?

The canonical SMILES for 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine is Nc1ncc(Cc2cn(Cc3ccco3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccoc3)nn2)[nH]1.

What is the InChIKey of 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine?

The InChIKey is LBHMJNLTNXZRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H12N6O/c12-11-13-4-9(14-11)3-10-6-17(16-15-10)5-8-1-2-18-7-8;12-11-13-5-8(14-11)4-9-6-17(16-15-9)7-10-2-1-3-18-10/h1-2,4,6-7H,3,5H2,(H3,12,13,14);1-3,5-6H,4,7H2,(H3,12,13,14).

What are the key properties of 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine?

5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine has a molecular weight of 488.52 g/mol, XLogP of 1.63, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine is sourced from PubChem (CID 159300748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).