3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazine-4-carboximidamide

C10H15N5O2S — CID 102883786

IUPAC3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N1CCS(=O)(=O)CC1C
InChIInChI=1S/C10H15N5O2S/c1-7-6-18(16,17)5-4-15(7)10-8(9(11)12)2-3-13-14-10/h2-3,7H,4-6H2,1H3,(H3,11,12)
InChIKeyWRTVOGUTMJWNQT-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.62
Rot. Bonds2

About 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazine-4-carboximidamide

3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazine-4-carboximidamide (PubChem CID 102883786) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazine-4-carboximidamide
PubChem CID102883786
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N1CCS(=O)(=O)CC1C
InChIInChI=1S/C10H15N5O2S/c1-7-6-18(16,17)5-4-15(7)10-8(9(11)12)2-3-13-14-10/h2-3,7H,4-6H2,1H3,(H3,11,12)
InChIKeyWRTVOGUTMJWNQT-UHFFFAOYSA-N
XLogP-0.62
TPSA113.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazine-4-carboximidamide?
The IUPAC name of 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazine-4-carboximidamide (CID 102883786) is 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazine-4-carboximidamide.
What is the SMILES notation for 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazine-4-carboximidamide?
The canonical SMILES for 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1N1CCS(=O)(=O)CC1C.
What is the InChIKey of 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazine-4-carboximidamide?
The InChIKey is WRTVOGUTMJWNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-7-6-18(16,17)5-4-15(7)10-8(9(11)12)2-3-13-14-10/h2-3,7H,4-6H2,1H3,(H3,11,12).
What are the key properties of 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazine-4-carboximidamide?
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazine-4-carboximidamide has a molecular weight of 269.33 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazine-4-carboximidamide is sourced from PubChem (CID 102883786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).