2-[[(3-ethoxypropylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide

C17H31N7O2 — CID 110040830

About 2-[[(3-ethoxypropylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide

2-[[(3-ethoxypropylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110040830) has the molecular formula C17H31N7O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[[(3-ethoxypropylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[[(3-ethoxypropylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide
• PubChem CID: 110040830
• Molecular Formula: C17H31N7O2
• Molecular Weight: 365.48 g/mol
• Exact Mass: 365.25
• IUPAC Name: 2-[[(3-ethoxypropylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide
• SMILES: CCOCCCN/C(=N\CC(=O)N(C)C)NC1CCc2nc(C)nn2C1
• InChI: InChI=1S/C17H31N7O2/c1-5-26-10-6-9-18-17(19-11-16(25)23(3)4)21-14-7-8-15-20-13(2)22-24(15)12-14/h14H,5-12H2,1-4H3,(H2,18,19,21)
• InChIKey: DIUMBRGCIFJAMF-UHFFFAOYSA-N
• XLogP: -0.05
• TPSA: 96.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.48
LogP ≤ 5	-0.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-ethoxypropylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide?

The IUPAC name of 2-[[(3-ethoxypropylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide (CID 110040830) is 2-[[(3-ethoxypropylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[[(3-ethoxypropylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide?

The canonical SMILES for 2-[[(3-ethoxypropylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide is CCOCCCN/C(=N\CC(=O)N(C)C)NC1CCc2nc(C)nn2C1.

What is the InChIKey of 2-[[(3-ethoxypropylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide?

The InChIKey is DIUMBRGCIFJAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N7O2/c1-5-26-10-6-9-18-17(19-11-16(25)23(3)4)21-14-7-8-15-20-13(2)22-24(15)12-14/h14H,5-12H2,1-4H3,(H2,18,19,21).

What are the key properties of 2-[[(3-ethoxypropylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide?

2-[[(3-ethoxypropylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 365.48 g/mol, XLogP of -0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(3-ethoxypropylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110040830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).