6-oxo-N-(thian-3-yl)-1H-pyridazine-3-carboxamide

C10H13N3O2S — CID 103728005

IUPAC6-oxo-N-(thian-3-yl)-1H-pyridazine-3-carboxamide
SMILESO=C(NC1CCCSC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H13N3O2S/c14-9-4-3-8(12-13-9)10(15)11-7-2-1-5-16-6-7/h3-4,7H,1-2,5-6H2,(H,11,15)(H,13,14)
InChIKeyHAXFUQDSPWRKKQ-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.40
Rot. Bonds2

About 6-oxo-N-(thian-3-yl)-1H-pyridazine-3-carboxamide

6-oxo-N-(thian-3-yl)-1H-pyridazine-3-carboxamide (PubChem CID 103728005) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 6-oxo-N-(thian-3-yl)-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(thian-3-yl)-1H-pyridazine-3-carboxamide
PubChem CID103728005
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name6-oxo-N-(thian-3-yl)-1H-pyridazine-3-carboxamide
SMILESO=C(NC1CCCSC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H13N3O2S/c14-9-4-3-8(12-13-9)10(15)11-7-2-1-5-16-6-7/h3-4,7H,1-2,5-6H2,(H,11,15)(H,13,14)
InChIKeyHAXFUQDSPWRKKQ-UHFFFAOYSA-N
XLogP0.40
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(thian-3-yl)-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(thian-3-yl)-1H-pyridazine-3-carboxamide (CID 103728005) is 6-oxo-N-(thian-3-yl)-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(thian-3-yl)-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(thian-3-yl)-1H-pyridazine-3-carboxamide is O=C(NC1CCCSC1)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-(thian-3-yl)-1H-pyridazine-3-carboxamide?
The InChIKey is HAXFUQDSPWRKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c14-9-4-3-8(12-13-9)10(15)11-7-2-1-5-16-6-7/h3-4,7H,1-2,5-6H2,(H,11,15)(H,13,14).
What are the key properties of 6-oxo-N-(thian-3-yl)-1H-pyridazine-3-carboxamide?
6-oxo-N-(thian-3-yl)-1H-pyridazine-3-carboxamide has a molecular weight of 239.30 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(thian-3-yl)-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103728005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).