(1-methyl-1,2,4-triazol-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone

C19H26N6O — CID 131686812

About (1-methyl-1,2,4-triazol-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone

(1-methyl-1,2,4-triazol-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (PubChem CID 131686812) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is (1-methyl-1,2,4-triazol-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.

Molecular Properties

• Compound Name: (1-methyl-1,2,4-triazol-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
• PubChem CID: 131686812
• Molecular Formula: C19H26N6O
• Molecular Weight: 354.46 g/mol
• Exact Mass: 354.22
• IUPAC Name: (1-methyl-1,2,4-triazol-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
• SMILES: Cn1cnc(C(=O)N2CCC3(CCN(Cc4cccnc4)CC3)CC2)n1
• InChI: InChI=1S/C19H26N6O/c1-23-15-21-17(22-23)18(26)25-11-6-19(7-12-25)4-9-24(10-5-19)14-16-3-2-8-20-13-16/h2-3,8,13,15H,4-7,9-12,14H2,1H3
• InChIKey: GQPGYYQPZNULLO-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 67.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.46
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1-methyl-1,2,4-triazol-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?

The IUPAC name of (1-methyl-1,2,4-triazol-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (CID 131686812) is (1-methyl-1,2,4-triazol-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.

What is the SMILES notation for (1-methyl-1,2,4-triazol-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?

The canonical SMILES for (1-methyl-1,2,4-triazol-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is Cn1cnc(C(=O)N2CCC3(CCN(Cc4cccnc4)CC3)CC2)n1.

What is the InChIKey of (1-methyl-1,2,4-triazol-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?

The InChIKey is GQPGYYQPZNULLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-23-15-21-17(22-23)18(26)25-11-6-19(7-12-25)4-9-24(10-5-19)14-16-3-2-8-20-13-16/h2-3,8,13,15H,4-7,9-12,14H2,1H3.

What are the key properties of (1-methyl-1,2,4-triazol-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?

(1-methyl-1,2,4-triazol-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone has a molecular weight of 354.46 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methyl-1,2,4-triazol-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is sourced from PubChem (CID 131686812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).