5-amino-N-(4-ethylphenyl)thieno[2,3-c]pyridazine-6-carboxamide

C15H14N4OS — CID 80514678

IUPAC5-amino-N-(4-ethylphenyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESCCc1ccc(NC(=O)c2sc3nnccc3c2N)cc1
InChIInChI=1S/C15H14N4OS/c1-2-9-3-5-10(6-4-9)18-14(20)13-12(16)11-7-8-17-19-15(11)21-13/h3-8H,2,16H2,1H3,(H,18,20)
InChIKeyAHYYQNYUZHIGBR-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.09
Rot. Bonds3

About 5-amino-N-(4-ethylphenyl)thieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-(4-ethylphenyl)thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 80514678) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-amino-N-(4-ethylphenyl)thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-ethylphenyl)thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID80514678
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name5-amino-N-(4-ethylphenyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESCCc1ccc(NC(=O)c2sc3nnccc3c2N)cc1
InChIInChI=1S/C15H14N4OS/c1-2-9-3-5-10(6-4-9)18-14(20)13-12(16)11-7-8-17-19-15(11)21-13/h3-8H,2,16H2,1H3,(H,18,20)
InChIKeyAHYYQNYUZHIGBR-UHFFFAOYSA-N
XLogP3.09
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 122691568
3-amino-N-(4-ethylphenyl)-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23888928
5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide
CID 134502811
5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80518001
5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 104766810
5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide
CID 107855028
5-amino-N-(1-amino-1-oxopropan-2-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519148
5-amino-N-(4-methylhexan-2-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519146
5-amino-N-heptan-2-ylthieno[2,3-c]pyridazine-6-carboxamide
CID 80519265
5-amino-N-(dicyclopropylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80514656
5-amino-N-(2,5-difluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80515622
3-amino-N-(4-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866585

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-ethylphenyl)thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-(4-ethylphenyl)thieno[2,3-c]pyridazine-6-carboxamide (CID 80514678) is 5-amino-N-(4-ethylphenyl)thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-(4-ethylphenyl)thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-(4-ethylphenyl)thieno[2,3-c]pyridazine-6-carboxamide is CCc1ccc(NC(=O)c2sc3nnccc3c2N)cc1.
What is the InChIKey of 5-amino-N-(4-ethylphenyl)thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is AHYYQNYUZHIGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-2-9-3-5-10(6-4-9)18-14(20)13-12(16)11-7-8-17-19-15(11)21-13/h3-8H,2,16H2,1H3,(H,18,20).
What are the key properties of 5-amino-N-(4-ethylphenyl)thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-(4-ethylphenyl)thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-ethylphenyl)thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 80514678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).