5-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

C17H21N7 — CID 169378203

About 5-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

5-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169378203) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

• Compound Name: 5-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
• PubChem CID: 169378203
• Molecular Formula: C17H21N7
• Molecular Weight: 323.40 g/mol
• Exact Mass: 323.19
• IUPAC Name: 5-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
• SMILES: NC1=NC2(CCCCC2)N(c2cccc(-c3ncc[nH]3)c2)C(N)=N1
• InChI: InChI=1S/C17H21N7/c18-15-22-16(19)24(17(23-15)7-2-1-3-8-17)13-6-4-5-12(11-13)14-20-9-10-21-14/h4-6,9-11H,1-3,7-8H2,(H,20,21)(H4,18,19,22,23)
• InChIKey: BTNMZQDNDFSPGY-UHFFFAOYSA-N
• XLogP: 2.19
• TPSA: 108.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.40
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?

The IUPAC name of 5-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169378203) is 5-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

What is the SMILES notation for 5-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?

The canonical SMILES for 5-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is NC1=NC2(CCCCC2)N(c2cccc(-c3ncc[nH]3)c2)C(N)=N1.

What is the InChIKey of 5-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?

The InChIKey is BTNMZQDNDFSPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c18-15-22-16(19)24(17(23-15)7-2-1-3-8-17)13-6-4-5-12(11-13)14-20-9-10-21-14/h4-6,9-11H,1-3,7-8H2,(H,20,21)(H4,18,19,22,23).

What are the key properties of 5-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?

5-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 323.40 g/mol, XLogP of 2.19, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169378203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).