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

C15H20N4OS — CID 80514419

IUPAC5-amino-N-cyclopropyl-N-(3-methylbutyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESCC(C)CCN(C(=O)c1sc2nnccc2c1N)C1CC1
InChIInChI=1S/C15H20N4OS/c1-9(2)6-8-19(10-3-4-10)15(20)13-12(16)11-5-7-17-18-14(11)21-13/h5,7,9-10H,3-4,6,8,16H2,1-2H3
InChIKeyZBJNHTKNDPGARY-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.92
Rot. Bonds5

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

5-amino-N-cyclopropyl-N-(3-methylbutyl)thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 80514419) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-N-(3-methylbutyl)thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-N-(3-methylbutyl)thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID80514419
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name5-amino-N-cyclopropyl-N-(3-methylbutyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESCC(C)CCN(C(=O)c1sc2nnccc2c1N)C1CC1
InChIInChI=1S/C15H20N4OS/c1-9(2)6-8-19(10-3-4-10)15(20)13-12(16)11-5-7-17-18-14(11)21-13/h5,7,9-10H,3-4,6,8,16H2,1-2H3
InChIKeyZBJNHTKNDPGARY-UHFFFAOYSA-N
XLogP2.92
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopropyl-N-(3-methylbutyl)thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-cyclopropyl-N-(3-methylbutyl)thieno[2,3-c]pyridazine-6-carboxamide (CID 80514419) is 5-amino-N-cyclopropyl-N-(3-methylbutyl)thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-N-(3-methylbutyl)thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-cyclopropyl-N-(3-methylbutyl)thieno[2,3-c]pyridazine-6-carboxamide is CC(C)CCN(C(=O)c1sc2nnccc2c1N)C1CC1.
What is the InChIKey of 5-amino-N-cyclopropyl-N-(3-methylbutyl)thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is ZBJNHTKNDPGARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9(2)6-8-19(10-3-4-10)15(20)13-12(16)11-5-7-17-18-14(11)21-13/h5,7,9-10H,3-4,6,8,16H2,1-2H3.
What are the key properties of 5-amino-N-cyclopropyl-N-(3-methylbutyl)thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-cyclopropyl-N-(3-methylbutyl)thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopropyl-N-(3-methylbutyl)thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 80514419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).