7-amino-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]heptanamide

C19H27N5O — CID 119883320

About 7-amino-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]heptanamide

7-amino-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]heptanamide (PubChem CID 119883320) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 7-amino-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]heptanamide.

Molecular Properties

• Compound Name: 7-amino-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]heptanamide
• PubChem CID: 119883320
• Molecular Formula: C19H27N5O
• Molecular Weight: 341.46 g/mol
• Exact Mass: 341.22
• IUPAC Name: 7-amino-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]heptanamide
• SMILES: NCCCCCCC(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1
• InChI: InChI=1S/C19H27N5O/c20-13-5-2-1-3-8-18(25)21-16-11-9-15(10-12-16)19-23-22-17-7-4-6-14-24(17)19/h9-12H,1-8,13-14,20H2,(H,21,25)
• InChIKey: LJCHAPZDCMUUSA-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 85.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.46
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 7-amino-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]heptanamide (CID 119883320) is 7-amino-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]heptanamide.

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

The canonical SMILES for 7-amino-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]heptanamide is NCCCCCCC(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1.

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

The InChIKey is LJCHAPZDCMUUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c20-13-5-2-1-3-8-18(25)21-16-11-9-15(10-12-16)19-23-22-17-7-4-6-14-24(17)19/h9-12H,1-8,13-14,20H2,(H,21,25).

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

7-amino-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]heptanamide has a molecular weight of 341.46 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]heptanamide is sourced from PubChem (CID 119883320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).