7-propan-2-yl-2-[6-(1,2,4-triazol-4-yl)pyridine-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one

C19H24N6O2 — CID 72840672

About 7-propan-2-yl-2-[6-(1,2,4-triazol-4-yl)pyridine-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one

7-propan-2-yl-2-[6-(1,2,4-triazol-4-yl)pyridine-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72840672) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 7-propan-2-yl-2-[6-(1,2,4-triazol-4-yl)pyridine-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: 7-propan-2-yl-2-[6-(1,2,4-triazol-4-yl)pyridine-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 72840672
• Molecular Formula: C19H24N6O2
• Molecular Weight: 368.44 g/mol
• Exact Mass: 368.20
• IUPAC Name: 7-propan-2-yl-2-[6-(1,2,4-triazol-4-yl)pyridine-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
• SMILES: CC(C)N1CCCC2(CCN(C(=O)c3ccc(-n4cnnc4)nc3)C2)C1=O
• InChI: InChI=1S/C19H24N6O2/c1-14(2)25-8-3-6-19(18(25)27)7-9-23(11-19)17(26)15-4-5-16(20-10-15)24-12-21-22-13-24/h4-5,10,12-14H,3,6-9,11H2,1-2H3
• InChIKey: YZYSPYSUKXJLSF-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 84.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.44
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2-[6-(1,2,4-triazol-4-yl)pyridine-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of 7-propan-2-yl-2-[6-(1,2,4-triazol-4-yl)pyridine-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72840672) is 7-propan-2-yl-2-[6-(1,2,4-triazol-4-yl)pyridine-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for 7-propan-2-yl-2-[6-(1,2,4-triazol-4-yl)pyridine-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for 7-propan-2-yl-2-[6-(1,2,4-triazol-4-yl)pyridine-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one is CC(C)N1CCCC2(CCN(C(=O)c3ccc(-n4cnnc4)nc3)C2)C1=O.

What is the InChIKey of 7-propan-2-yl-2-[6-(1,2,4-triazol-4-yl)pyridine-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is YZYSPYSUKXJLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-14(2)25-8-3-6-19(18(25)27)7-9-23(11-19)17(26)15-4-5-16(20-10-15)24-12-21-22-13-24/h4-5,10,12-14H,3,6-9,11H2,1-2H3.

What are the key properties of 7-propan-2-yl-2-[6-(1,2,4-triazol-4-yl)pyridine-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one?

7-propan-2-yl-2-[6-(1,2,4-triazol-4-yl)pyridine-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 368.44 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-propan-2-yl-2-[6-(1,2,4-triazol-4-yl)pyridine-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72840672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).