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

C14H18N4OS — CID 80519138

IUPAC5-amino-N-cyclopropyl-N-(2-methylpropyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESCC(C)CN(C(=O)c1sc2nnccc2c1N)C1CC1
InChIInChI=1S/C14H18N4OS/c1-8(2)7-18(9-3-4-9)14(19)12-11(15)10-5-6-16-17-13(10)20-12/h5-6,8-9H,3-4,7,15H2,1-2H3
InChIKeySXLUFQKFFRRYSU-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.53
Rot. Bonds4

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

5-amino-N-cyclopropyl-N-(2-methylpropyl)thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 80519138) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-N-(2-methylpropyl)thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-N-(2-methylpropyl)thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID80519138
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name5-amino-N-cyclopropyl-N-(2-methylpropyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESCC(C)CN(C(=O)c1sc2nnccc2c1N)C1CC1
InChIInChI=1S/C14H18N4OS/c1-8(2)7-18(9-3-4-9)14(19)12-11(15)10-5-6-16-17-13(10)20-12/h5-6,8-9H,3-4,7,15H2,1-2H3
InChIKeySXLUFQKFFRRYSU-UHFFFAOYSA-N
XLogP2.53
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.53
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-(2-methylpropyl)thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-cyclopropyl-N-(2-methylpropyl)thieno[2,3-c]pyridazine-6-carboxamide (CID 80519138) is 5-amino-N-cyclopropyl-N-(2-methylpropyl)thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-N-(2-methylpropyl)thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-cyclopropyl-N-(2-methylpropyl)thieno[2,3-c]pyridazine-6-carboxamide is CC(C)CN(C(=O)c1sc2nnccc2c1N)C1CC1.
What is the InChIKey of 5-amino-N-cyclopropyl-N-(2-methylpropyl)thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is SXLUFQKFFRRYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-8(2)7-18(9-3-4-9)14(19)12-11(15)10-5-6-16-17-13(10)20-12/h5-6,8-9H,3-4,7,15H2,1-2H3.
What are the key properties of 5-amino-N-cyclopropyl-N-(2-methylpropyl)thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-cyclopropyl-N-(2-methylpropyl)thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.53, 4 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-(2-methylpropyl)thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 80519138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).