5-amino-N-heptan-2-ylthieno[2,3-c]pyridazine-6-carboxamide

C14H20N4OS — CID 80519265

IUPAC5-amino-N-heptan-2-ylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCCCCCC(C)NC(=O)c1sc2nnccc2c1N
InChIInChI=1S/C14H20N4OS/c1-3-4-5-6-9(2)17-13(19)12-11(15)10-7-8-16-18-14(10)20-12/h7-9H,3-6,15H2,1-2H3,(H,17,19)
InChIKeyLJMUPJWSCLVWKX-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.97
Rot. Bonds6

About 5-amino-N-heptan-2-ylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-heptan-2-ylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 80519265) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 5-amino-N-heptan-2-ylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-heptan-2-ylthieno[2,3-c]pyridazine-6-carboxamide
PubChem CID80519265
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name5-amino-N-heptan-2-ylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCCCCCC(C)NC(=O)c1sc2nnccc2c1N
InChIInChI=1S/C14H20N4OS/c1-3-4-5-6-9(2)17-13(19)12-11(15)10-7-8-16-18-14(10)20-12/h7-9H,3-6,15H2,1-2H3,(H,17,19)
InChIKeyLJMUPJWSCLVWKX-UHFFFAOYSA-N
XLogP2.97
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(4-methylhexan-2-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519146
5-amino-N-(1-amino-1-oxopropan-2-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519148
5-amino-N-(1-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80515473
5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide
CID 134502811
5-amino-N-(4-ethylphenyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80514678
5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 122691568
5-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80519173
5-amino-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80514556
5-amino-N-[(2-methylcyclopentyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 107421062
3-amino-7-methyl-N-pentan-2-yl-1-benzothiophene-2-carboxamide
CID 107112763
3-amino-N-(4-hydroxybutan-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 83180766
5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylthieno[2,3-c]pyridazine-6-carboxamide
CID 103192197

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-heptan-2-ylthieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-heptan-2-ylthieno[2,3-c]pyridazine-6-carboxamide (CID 80519265) is 5-amino-N-heptan-2-ylthieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-heptan-2-ylthieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-heptan-2-ylthieno[2,3-c]pyridazine-6-carboxamide is CCCCCC(C)NC(=O)c1sc2nnccc2c1N.
What is the InChIKey of 5-amino-N-heptan-2-ylthieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is LJMUPJWSCLVWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-4-5-6-9(2)17-13(19)12-11(15)10-7-8-16-18-14(10)20-12/h7-9H,3-6,15H2,1-2H3,(H,17,19).
What are the key properties of 5-amino-N-heptan-2-ylthieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-heptan-2-ylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-heptan-2-ylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 80519265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).