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

C15H22N4OS — CID 80514735

IUPAC5-amino-N-ethyl-N-(2-ethylbutyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESCCC(CC)CN(CC)C(=O)c1sc2nnccc2c1N
InChIInChI=1S/C15H22N4OS/c1-4-10(5-2)9-19(6-3)15(20)13-12(16)11-7-8-17-18-14(11)21-13/h7-8,10H,4-6,9,16H2,1-3H3
InChIKeySZVLZGQKHZZAPH-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.17
Rot. Bonds6

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

5-amino-N-ethyl-N-(2-ethylbutyl)thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 80514735) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-(2-ethylbutyl)thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-(2-ethylbutyl)thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID80514735
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name5-amino-N-ethyl-N-(2-ethylbutyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESCCC(CC)CN(CC)C(=O)c1sc2nnccc2c1N
InChIInChI=1S/C15H22N4OS/c1-4-10(5-2)9-19(6-3)15(20)13-12(16)11-7-8-17-18-14(11)21-13/h7-8,10H,4-6,9,16H2,1-3H3
InChIKeySZVLZGQKHZZAPH-UHFFFAOYSA-N
XLogP3.17
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-(2-ethylbutyl)thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-ethyl-N-(2-ethylbutyl)thieno[2,3-c]pyridazine-6-carboxamide (CID 80514735) is 5-amino-N-ethyl-N-(2-ethylbutyl)thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-ethyl-N-(2-ethylbutyl)thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-ethyl-N-(2-ethylbutyl)thieno[2,3-c]pyridazine-6-carboxamide is CCC(CC)CN(CC)C(=O)c1sc2nnccc2c1N.
What is the InChIKey of 5-amino-N-ethyl-N-(2-ethylbutyl)thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is SZVLZGQKHZZAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-4-10(5-2)9-19(6-3)15(20)13-12(16)11-7-8-17-18-14(11)21-13/h7-8,10H,4-6,9,16H2,1-3H3.
What are the key properties of 5-amino-N-ethyl-N-(2-ethylbutyl)thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-ethyl-N-(2-ethylbutyl)thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 306.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-(2-ethylbutyl)thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 80514735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).