5-(4-methoxy-3-phenylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

C21H25N5O — CID 169374737

About 5-(4-methoxy-3-phenylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

5-(4-methoxy-3-phenylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169374737) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 5-(4-methoxy-3-phenylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

• Compound Name: 5-(4-methoxy-3-phenylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
• PubChem CID: 169374737
• Molecular Formula: C21H25N5O
• Molecular Weight: 363.47 g/mol
• Exact Mass: 363.21
• IUPAC Name: 5-(4-methoxy-3-phenylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
• SMILES: COc1ccc(N2C(N)=NC(N)=NC23CCCCC3)cc1-c1ccccc1
• InChI: InChI=1S/C21H25N5O/c1-27-18-11-10-16(14-17(18)15-8-4-2-5-9-15)26-20(23)24-19(22)25-21(26)12-6-3-7-13-21/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H4,22,23,24,25)
• InChIKey: CVXNKNDYTZXXJG-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 89.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.47
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-phenylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?

The IUPAC name of 5-(4-methoxy-3-phenylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169374737) is 5-(4-methoxy-3-phenylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

What is the SMILES notation for 5-(4-methoxy-3-phenylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?

The canonical SMILES for 5-(4-methoxy-3-phenylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is COc1ccc(N2C(N)=NC(N)=NC23CCCCC3)cc1-c1ccccc1.

What is the InChIKey of 5-(4-methoxy-3-phenylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?

The InChIKey is CVXNKNDYTZXXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-27-18-11-10-16(14-17(18)15-8-4-2-5-9-15)26-20(23)24-19(22)25-21(26)12-6-3-7-13-21/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H4,22,23,24,25).

What are the key properties of 5-(4-methoxy-3-phenylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?

5-(4-methoxy-3-phenylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 363.47 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methoxy-3-phenylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169374737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).