6-(2-prop-2-enylsulfanylethylamino)pyridazine-3-carboxamide

C10H14N4OS — CID 103715238

IUPAC6-(2-prop-2-enylsulfanylethylamino)pyridazine-3-carboxamide
SMILESC=CCSCCNc1ccc(C(N)=O)nn1
InChIInChI=1S/C10H14N4OS/c1-2-6-16-7-5-12-9-4-3-8(10(11)15)13-14-9/h2-4H,1,5-7H2,(H2,11,15)(H,12,14)
InChIKeyMAVYJTOWCCZFQG-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.91
Rot. Bonds7

About 6-(2-prop-2-enylsulfanylethylamino)pyridazine-3-carboxamide

6-(2-prop-2-enylsulfanylethylamino)pyridazine-3-carboxamide (PubChem CID 103715238) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 6-(2-prop-2-enylsulfanylethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-prop-2-enylsulfanylethylamino)pyridazine-3-carboxamide
PubChem CID103715238
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name6-(2-prop-2-enylsulfanylethylamino)pyridazine-3-carboxamide
SMILESC=CCSCCNc1ccc(C(N)=O)nn1
InChIInChI=1S/C10H14N4OS/c1-2-6-16-7-5-12-9-4-3-8(10(11)15)13-14-9/h2-4H,1,5-7H2,(H2,11,15)(H,12,14)
InChIKeyMAVYJTOWCCZFQG-UHFFFAOYSA-N
XLogP0.91
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(2-but-3-enoxyethylamino)pyridazine-3-carboxamide
CID 113338947
6-(2-acetamidoethylamino)pyridazine-3-carboxamide
CID 79769956
6-(2-ethylsulfinylethylamino)pyridazine-3-carboxamide
CID 115667657
2-(2-prop-2-enylsulfanylethylamino)quinoline-5-carboxylic acid
CID 106429382
6-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridazine-3-carboxamide
CID 112695977
6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide
CID 133477090
6-(hex-5-ynylamino)pyridazine-3-carboxamide
CID 103757420
6-(3-cyclopropylpropylamino)pyridazine-3-carboxamide
CID 115667673
4-(2-prop-2-enylsulfanylethylamino)benzoic acid
CID 106429317
6-[3-(methanesulfonamido)propylamino]pyridazine-3-carboxamide
CID 113246651
2-methyl-6-(2-prop-2-enylsulfanylethylamino)pyridine-4-carboxylic acid
CID 106429401
6-(2-pyridin-2-ylethylamino)pyridazine-3-carboxamide
CID 79005951

Frequently Asked Questions

What is the IUPAC name of 6-(2-prop-2-enylsulfanylethylamino)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-prop-2-enylsulfanylethylamino)pyridazine-3-carboxamide (CID 103715238) is 6-(2-prop-2-enylsulfanylethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-prop-2-enylsulfanylethylamino)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-prop-2-enylsulfanylethylamino)pyridazine-3-carboxamide is C=CCSCCNc1ccc(C(N)=O)nn1.
What is the InChIKey of 6-(2-prop-2-enylsulfanylethylamino)pyridazine-3-carboxamide?
The InChIKey is MAVYJTOWCCZFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-2-6-16-7-5-12-9-4-3-8(10(11)15)13-14-9/h2-4H,1,5-7H2,(H2,11,15)(H,12,14).
What are the key properties of 6-(2-prop-2-enylsulfanylethylamino)pyridazine-3-carboxamide?
6-(2-prop-2-enylsulfanylethylamino)pyridazine-3-carboxamide has a molecular weight of 238.32 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-prop-2-enylsulfanylethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 103715238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).