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

C9H9N5O2S — CID 80518001

IUPAC5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESNC(=O)CNC(=O)c1sc2nnccc2c1N
InChIInChI=1S/C9H9N5O2S/c10-5(15)3-12-8(16)7-6(11)4-1-2-13-14-9(4)17-7/h1-2H,3,11H2,(H2,10,15)(H,12,16)
InChIKeyBQGYIFJHDGWLCD-UHFFFAOYSA-N
MW251.27 g/mol
LogP-0.51
Rot. Bonds3

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

5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 80518001) has the molecular formula C9H9N5O2S and a molecular weight of 251.27 g/mol. Its IUPAC name is 5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID80518001
Molecular FormulaC9H9N5O2S
Molecular Weight251.27 g/mol
Exact Mass251.05
IUPAC Name5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESNC(=O)CNC(=O)c1sc2nnccc2c1N
InChIInChI=1S/C9H9N5O2S/c10-5(15)3-12-8(16)7-6(11)4-1-2-13-14-9(4)17-7/h1-2H,3,11H2,(H2,10,15)(H,12,16)
InChIKeyBQGYIFJHDGWLCD-UHFFFAOYSA-N
XLogP-0.51
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide
CID 134502811
5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 122691568
5-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80519173
5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 104766810
5-amino-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80516957
5-amino-N-(2-amino-2-oxoethyl)-N-methylthieno[2,3-c]pyridazine-6-carboxamide
CID 80519163
5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide
CID 107855028
5-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 106311385
5-amino-N-[(2-methylcyclopentyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 107421062
5-amino-N-[2-(1,3-thiazol-4-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80519272
5-amino-N-(cyclohex-3-en-1-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519091
5-amino-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80514556

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide (CID 80518001) is 5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide is NC(=O)CNC(=O)c1sc2nnccc2c1N.
What is the InChIKey of 5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is BQGYIFJHDGWLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2S/c10-5(15)3-12-8(16)7-6(11)4-1-2-13-14-9(4)17-7/h1-2H,3,11H2,(H2,10,15)(H,12,16).
What are the key properties of 5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 251.27 g/mol, XLogP of -0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 80518001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).