5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine

C15H25N5O2 — CID 112956478

About 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine

5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine (PubChem CID 112956478) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine.

Molecular Properties

• Compound Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine
• PubChem CID: 112956478
• Molecular Formula: C15H25N5O2
• Molecular Weight: 307.40 g/mol
• Exact Mass: 307.20
• IUPAC Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine
• SMILES: CC(C)CCNc1nncc(N2CCC3(CC2)OCCO3)n1
• InChI: InChI=1S/C15H25N5O2/c1-12(2)3-6-16-14-18-13(11-17-19-14)20-7-4-15(5-8-20)21-9-10-22-15/h11-12H,3-10H2,1-2H3,(H,16,18,19)
• InChIKey: YAIYMTZOAPIMJM-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 72.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.40
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine?

The IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine (CID 112956478) is 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine.

What is the SMILES notation for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine?

The canonical SMILES for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine is CC(C)CCNc1nncc(N2CCC3(CC2)OCCO3)n1.

What is the InChIKey of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine?

The InChIKey is YAIYMTZOAPIMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-12(2)3-6-16-14-18-13(11-17-19-14)20-7-4-15(5-8-20)21-9-10-22-15/h11-12H,3-10H2,1-2H3,(H,16,18,19).

What are the key properties of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine?

5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine has a molecular weight of 307.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112956478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).