5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide

C12H16N4O2S — CID 104766810

IUPAC5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESCC(C)OCCNC(=O)c1sc2nnccc2c1N
InChIInChI=1S/C12H16N4O2S/c1-7(2)18-6-5-14-11(17)10-9(13)8-3-4-15-16-12(8)19-10/h3-4,7H,5-6,13H2,1-2H3,(H,14,17)
InChIKeyLFFQRGAHQLOIDG-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.43
Rot. Bonds5

About 5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 104766810) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID104766810
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESCC(C)OCCNC(=O)c1sc2nnccc2c1N
InChIInChI=1S/C12H16N4O2S/c1-7(2)18-6-5-14-11(17)10-9(13)8-3-4-15-16-12(8)19-10/h3-4,7H,5-6,13H2,1-2H3,(H,14,17)
InChIKeyLFFQRGAHQLOIDG-UHFFFAOYSA-N
XLogP1.43
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80519173
5-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 106311385
5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80518001
5-amino-N-(1-amino-1-oxopropan-2-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519148
5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 122691568
5-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80690837
5-amino-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80516957
5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide
CID 134502811
5-amino-N-[2-(1,3-thiazol-4-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80519272
5-amino-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80514556
5-amino-N-(4-ethylphenyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80514678
5-amino-N-(4-methylhexan-2-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519146

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide (CID 104766810) is 5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide is CC(C)OCCNC(=O)c1sc2nnccc2c1N.
What is the InChIKey of 5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is LFFQRGAHQLOIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-7(2)18-6-5-14-11(17)10-9(13)8-3-4-15-16-12(8)19-10/h3-4,7H,5-6,13H2,1-2H3,(H,14,17).
What are the key properties of 5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 104766810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).