N-(3-ethoxypropyl)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide

C17H19N5O2 — CID 50831338

IUPACN-(3-ethoxypropyl)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
SMILESCCOCCCNC(=O)c1nnc2ccc(-c3ccccc3)nn12
InChIInChI=1S/C17H19N5O2/c1-2-24-12-6-11-18-17(23)16-20-19-15-10-9-14(21-22(15)16)13-7-4-3-5-8-13/h3-5,7-10H,2,6,11-12H2,1H3,(H,18,23)
InChIKeyNVGQJQQCLCDDID-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.95
Rot. Bonds7

About N-(3-ethoxypropyl)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide

N-(3-ethoxypropyl)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide (PubChem CID 50831338) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
PubChem CID50831338
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-(3-ethoxypropyl)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
SMILESCCOCCCNC(=O)c1nnc2ccc(-c3ccccc3)nn12
InChIInChI=1S/C17H19N5O2/c1-2-24-12-6-11-18-17(23)16-20-19-15-10-9-14(21-22(15)16)13-7-4-3-5-8-13/h3-5,7-10H,2,6,11-12H2,1H3,(H,18,23)
InChIKeyNVGQJQQCLCDDID-UHFFFAOYSA-N
XLogP1.95
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide (CID 50831338) is N-(3-ethoxypropyl)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide is CCOCCCNC(=O)c1nnc2ccc(-c3ccccc3)nn12.
What is the InChIKey of N-(3-ethoxypropyl)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide?
The InChIKey is NVGQJQQCLCDDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-2-24-12-6-11-18-17(23)16-20-19-15-10-9-14(21-22(15)16)13-7-4-3-5-8-13/h3-5,7-10H,2,6,11-12H2,1H3,(H,18,23).
What are the key properties of N-(3-ethoxypropyl)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide?
N-(3-ethoxypropyl)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide is sourced from PubChem (CID 50831338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).