N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid

C51H59N11O7 — CID 159060858

About N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid

N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid (PubChem CID 159060858) has the molecular formula C51H59N11O7 and a molecular weight of 938.10 g/mol. Its IUPAC name is N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid.

Molecular Properties

• Compound Name: N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid
• PubChem CID: 159060858
• Molecular Formula: C51H59N11O7
• Molecular Weight: 938.10 g/mol
• Exact Mass: 937.46
• IUPAC Name: N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid
• SMILES: CC1(C)CC2(CCC2)c2c([nH]c3ccc(C(=O)NC4CCCC4)cc23)C1=O.CC1(C)CC2(CCC2)c2c([nH]c3ccc(C(=O)NC4CCN(C(=O)c5ncn[nH]5)C4)cc23)C1=O.O=C(O)c1ncn[nH]1
• InChI: InChI=1S/C25H28N6O3.C23H28N2O2.C3H3N3O2/c1-24(2)12-25(7-3-8-25)18-16-10-14(4-5-17(16)29-19(18)20(24)32)22(33)28-15-6-9-31(11-15)23(34)21-26-13-27-30-21;1-22(2)13-23(10-5-11-23)18-16-12-14(21(27)24-15-6-3-4-7-15)8-9-17(16)25-19(18)20(22)26;7-3(8)2-4-1-5-6-2/h4-5,10,13,15,29H,3,6-9,11-12H2,1-2H3,(H,28,33)(H,26,27,30);8-9,12,15,25H,3-7,10-11,13H2,1-2H3,(H,24,27);1H,(H,7,8)(H,4,5,6)
• InChIKey: JYLIEIPHRVSYGI-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 264.67 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	938.10
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid?

The IUPAC name of N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid (CID 159060858) is N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid.

What is the SMILES notation for N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid?

The canonical SMILES for N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid is CC1(C)CC2(CCC2)c2c([nH]c3ccc(C(=O)NC4CCCC4)cc23)C1=O.CC1(C)CC2(CCC2)c2c([nH]c3ccc(C(=O)NC4CCN(C(=O)c5ncn[nH]5)C4)cc23)C1=O.O=C(O)c1ncn[nH]1.

What is the InChIKey of N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid?

The InChIKey is JYLIEIPHRVSYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3.C23H28N2O2.C3H3N3O2/c1-24(2)12-25(7-3-8-25)18-16-10-14(4-5-17(16)29-19(18)20(24)32)22(33)28-15-6-9-31(11-15)23(34)21-26-13-27-30-21;1-22(2)13-23(10-5-11-23)18-16-12-14(21(27)24-15-6-3-4-7-15)8-9-17(16)25-19(18)20(22)26;7-3(8)2-4-1-5-6-2/h4-5,10,13,15,29H,3,6-9,11-12H2,1-2H3,(H,28,33)(H,26,27,30);8-9,12,15,25H,3-7,10-11,13H2,1-2H3,(H,24,27);1H,(H,7,8)(H,4,5,6).

What are the key properties of N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid?

N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid has a molecular weight of 938.10 g/mol, XLogP of 7.34, 6 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid is sourced from PubChem (CID 159060858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).