5-amino-N-(1-cyclopropylethyl)-N-methylthieno[2,3-c]pyridazine-6-carboxamide

C13H16N4OS — CID 80519309

IUPAC5-amino-N-(1-cyclopropylethyl)-N-methylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCC(C1CC1)N(C)C(=O)c1sc2nnccc2c1N
InChIInChI=1S/C13H16N4OS/c1-7(8-3-4-8)17(2)13(18)11-10(14)9-5-6-15-16-12(9)19-11/h5-8H,3-4,14H2,1-2H3
InChIKeyYUBRMWHAQGVPRJ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.14
Rot. Bonds3

About 5-amino-N-(1-cyclopropylethyl)-N-methylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-(1-cyclopropylethyl)-N-methylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 80519309) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-amino-N-(1-cyclopropylethyl)-N-methylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-cyclopropylethyl)-N-methylthieno[2,3-c]pyridazine-6-carboxamide
PubChem CID80519309
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name5-amino-N-(1-cyclopropylethyl)-N-methylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCC(C1CC1)N(C)C(=O)c1sc2nnccc2c1N
InChIInChI=1S/C13H16N4OS/c1-7(8-3-4-8)17(2)13(18)11-10(14)9-5-6-15-16-12(9)19-11/h5-8H,3-4,14H2,1-2H3
InChIKeyYUBRMWHAQGVPRJ-UHFFFAOYSA-N
XLogP2.14
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-cyclopropylethyl)-N-methylthieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-(1-cyclopropylethyl)-N-methylthieno[2,3-c]pyridazine-6-carboxamide (CID 80519309) is 5-amino-N-(1-cyclopropylethyl)-N-methylthieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-(1-cyclopropylethyl)-N-methylthieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-(1-cyclopropylethyl)-N-methylthieno[2,3-c]pyridazine-6-carboxamide is CC(C1CC1)N(C)C(=O)c1sc2nnccc2c1N.
What is the InChIKey of 5-amino-N-(1-cyclopropylethyl)-N-methylthieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is YUBRMWHAQGVPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-7(8-3-4-8)17(2)13(18)11-10(14)9-5-6-15-16-12(9)19-11/h5-8H,3-4,14H2,1-2H3.
What are the key properties of 5-amino-N-(1-cyclopropylethyl)-N-methylthieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-(1-cyclopropylethyl)-N-methylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-cyclopropylethyl)-N-methylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 80519309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).