6-amino-N-methyl-N-(thiolan-3-yl)pyridazine-3-carboxamide

C10H14N4OS — CID 62154089

IUPAC6-amino-N-methyl-N-(thiolan-3-yl)pyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(N)nn1)C1CCSC1
InChIInChI=1S/C10H14N4OS/c1-14(7-4-5-16-6-7)10(15)8-2-3-9(11)13-12-8/h2-3,7H,4-6H2,1H3,(H2,11,13)
InChIKeySTHJAXGNXATEMI-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.64
Rot. Bonds2

About 6-amino-N-methyl-N-(thiolan-3-yl)pyridazine-3-carboxamide

6-amino-N-methyl-N-(thiolan-3-yl)pyridazine-3-carboxamide (PubChem CID 62154089) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 6-amino-N-methyl-N-(thiolan-3-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-methyl-N-(thiolan-3-yl)pyridazine-3-carboxamide
PubChem CID62154089
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name6-amino-N-methyl-N-(thiolan-3-yl)pyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(N)nn1)C1CCSC1
InChIInChI=1S/C10H14N4OS/c1-14(7-4-5-16-6-7)10(15)8-2-3-9(11)13-12-8/h2-3,7H,4-6H2,1H3,(H2,11,13)
InChIKeySTHJAXGNXATEMI-UHFFFAOYSA-N
XLogP0.64
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-methyl-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 62154308
5-bromo-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 62954377
1-(2-aminophenyl)-N-methyl-N-(thiolan-3-yl)pyrazole-3-carboxamide
CID 43475571
5-(3-aminoprop-1-ynyl)-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 62960675
2-(aminomethyl)-N-methyl-N-(thiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 66376837
4-amino-3,5-difluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 63187509
2-amino-6-ethyl-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide
CID 113380992
3-amino-4-chloro-N-methyl-N-(thiolan-3-yl)benzamide
CID 43296251
3-amino-4-fluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 43437025
4-amino-3-fluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 62679843
2-[methyl(thiolan-3-yl)carbamoyl]benzoic acid
CID 43296386
3,6-dimethyl-2-[methyl(thiolan-3-yl)carbamoyl]benzoic acid
CID 103428743

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-methyl-N-(thiolan-3-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-amino-N-methyl-N-(thiolan-3-yl)pyridazine-3-carboxamide (CID 62154089) is 6-amino-N-methyl-N-(thiolan-3-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-N-methyl-N-(thiolan-3-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-N-methyl-N-(thiolan-3-yl)pyridazine-3-carboxamide is CN(C(=O)c1ccc(N)nn1)C1CCSC1.
What is the InChIKey of 6-amino-N-methyl-N-(thiolan-3-yl)pyridazine-3-carboxamide?
The InChIKey is STHJAXGNXATEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-14(7-4-5-16-6-7)10(15)8-2-3-9(11)13-12-8/h2-3,7H,4-6H2,1H3,(H2,11,13).
What are the key properties of 6-amino-N-methyl-N-(thiolan-3-yl)pyridazine-3-carboxamide?
6-amino-N-methyl-N-(thiolan-3-yl)pyridazine-3-carboxamide has a molecular weight of 238.32 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methyl-N-(thiolan-3-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 62154089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).