6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyrazine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one

C17H21N7O2 — CID 131642956

About 6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyrazine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one

6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyrazine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 131642956) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyrazine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

• Compound Name: 6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyrazine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
• PubChem CID: 131642956
• Molecular Formula: C17H21N7O2
• Molecular Weight: 355.40 g/mol
• Exact Mass: 355.18
• IUPAC Name: 6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyrazine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
• SMILES: CN1CC(=O)N(c2cnn(C)c2)CC12CCN(C(=O)c1cnccn1)C2
• InChI: InChI=1S/C17H21N7O2/c1-21-10-15(25)24(13-7-20-22(2)9-13)12-17(21)3-6-23(11-17)16(26)14-8-18-4-5-19-14/h4-5,7-9H,3,6,10-12H2,1-2H3
• InChIKey: RFYXBTSZPFBAMB-UHFFFAOYSA-N
• XLogP: -0.23
• TPSA: 87.46 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.40
LogP ≤ 5	-0.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyrazine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one?

The IUPAC name of 6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyrazine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one (CID 131642956) is 6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyrazine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one.

What is the SMILES notation for 6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyrazine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one?

The canonical SMILES for 6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyrazine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one is CN1CC(=O)N(c2cnn(C)c2)CC12CCN(C(=O)c1cnccn1)C2.

What is the InChIKey of 6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyrazine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one?

The InChIKey is RFYXBTSZPFBAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-21-10-15(25)24(13-7-20-22(2)9-13)12-17(21)3-6-23(11-17)16(26)14-8-18-4-5-19-14/h4-5,7-9H,3,6,10-12H2,1-2H3.

What are the key properties of 6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyrazine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one?

6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyrazine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 355.40 g/mol, XLogP of -0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyrazine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 131642956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).