N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide

C8H11N3O2S — CID 103600737

IUPACN-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCSCCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H11N3O2S/c1-14-5-4-9-8(13)6-2-3-7(12)11-10-6/h2-3H,4-5H2,1H3,(H,9,13)(H,11,12)
InChIKeyAVDLJZAHVLYQLM-UHFFFAOYSA-N
MW213.26 g/mol
LogP-0.14
Rot. Bonds4

About N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 103600737) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID103600737
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC NameN-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCSCCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H11N3O2S/c1-14-5-4-9-8(13)6-2-3-7(12)11-10-6/h2-3H,4-5H2,1H3,(H,9,13)(H,11,12)
InChIKeyAVDLJZAHVLYQLM-UHFFFAOYSA-N
XLogP-0.14
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 1932907
N-isopropyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443181
2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide
CID 170266150
6-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridazine-3-carboxamide
CID 47038195
N-(sec-butyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 44012300
N-ethyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 58742032
6-oxo-N-propan-2-yl-1H-pyridazine-3-carboxamide
CID 60634409
N-ethyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 60636499
N,1-diethyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 121066863
2-methyl-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide
CID 133618153
N-[2-(2,2-dimethylpropylsulfanyl)-1-(6-oxo-1H-pyridazin-3-yl)ethyl]acetamide
CID 141377639
N-[(6-oxo-1H-pyridazin-3-yl)methyl]butanamide
CID 154267906

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 103600737) is N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide is CSCCNC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is AVDLJZAHVLYQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-14-5-4-9-8(13)6-2-3-7(12)11-10-6/h2-3H,4-5H2,1H3,(H,9,13)(H,11,12).
What are the key properties of N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 213.26 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103600737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).