1-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,3-dihydroinden-1-ylideneamino)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carboxamide

C24H23N9O2 — CID 5017800

About 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,3-dihydroinden-1-ylideneamino)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carboxamide

1-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,3-dihydroinden-1-ylideneamino)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carboxamide (PubChem CID 5017800) has the molecular formula C24H23N9O2 and a molecular weight of 469.51 g/mol. Its IUPAC name is 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,3-dihydroinden-1-ylideneamino)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,3-dihydroinden-1-ylideneamino)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carboxamide
• PubChem CID: 5017800
• Molecular Formula: C24H23N9O2
• Molecular Weight: 469.51 g/mol
• Exact Mass: 469.20
• IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,3-dihydroinden-1-ylideneamino)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carboxamide
• SMILES: Nc1nonc1-n1nnc(C(=O)NN=C2CCc3ccccc32)c1CN1CCCc2ccccc21
• InChI: InChI=1S/C24H23N9O2/c25-22-23(30-35-29-22)33-20(14-32-13-5-8-16-7-2-4-10-19(16)32)21(27-31-33)24(34)28-26-18-12-11-15-6-1-3-9-17(15)18/h1-4,6-7,9-10H,5,8,11-14H2,(H2,25,29)(H,28,34)
• InChIKey: LCDXQDRCHLYOSP-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 140.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.51
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,3-dihydroinden-1-ylideneamino)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carboxamide?

The IUPAC name of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,3-dihydroinden-1-ylideneamino)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carboxamide (CID 5017800) is 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,3-dihydroinden-1-ylideneamino)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carboxamide.

What is the SMILES notation for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,3-dihydroinden-1-ylideneamino)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carboxamide?

The canonical SMILES for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,3-dihydroinden-1-ylideneamino)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carboxamide is Nc1nonc1-n1nnc(C(=O)NN=C2CCc3ccccc32)c1CN1CCCc2ccccc21.

What is the InChIKey of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,3-dihydroinden-1-ylideneamino)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carboxamide?

The InChIKey is LCDXQDRCHLYOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9O2/c25-22-23(30-35-29-22)33-20(14-32-13-5-8-16-7-2-4-10-19(16)32)21(27-31-33)24(34)28-26-18-12-11-15-6-1-3-9-17(15)18/h1-4,6-7,9-10H,5,8,11-14H2,(H2,25,29)(H,28,34).

What are the key properties of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,3-dihydroinden-1-ylideneamino)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carboxamide?

1-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,3-dihydroinden-1-ylideneamino)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carboxamide has a molecular weight of 469.51 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,3-dihydroinden-1-ylideneamino)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 5017800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).