6-[3-(methanesulfonamido)propylamino]pyridazine-3-carboxamide

C9H15N5O3S — CID 113246651

IUPAC6-[3-(methanesulfonamido)propylamino]pyridazine-3-carboxamide
SMILESCS(=O)(=O)NCCCNc1ccc(C(N)=O)nn1
InChIInChI=1S/C9H15N5O3S/c1-18(16,17)12-6-2-5-11-8-4-3-7(9(10)15)13-14-8/h3-4,12H,2,5-6H2,1H3,(H2,10,15)(H,11,14)
InChIKeyCIEFPOSMXFATSN-UHFFFAOYSA-N
MW273.32 g/mol
LogP-1.07
Rot. Bonds7

About 6-[3-(methanesulfonamido)propylamino]pyridazine-3-carboxamide

6-[3-(methanesulfonamido)propylamino]pyridazine-3-carboxamide (PubChem CID 113246651) has the molecular formula C9H15N5O3S and a molecular weight of 273.32 g/mol. Its IUPAC name is 6-[3-(methanesulfonamido)propylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(methanesulfonamido)propylamino]pyridazine-3-carboxamide
PubChem CID113246651
Molecular FormulaC9H15N5O3S
Molecular Weight273.32 g/mol
Exact Mass273.09
IUPAC Name6-[3-(methanesulfonamido)propylamino]pyridazine-3-carboxamide
SMILESCS(=O)(=O)NCCCNc1ccc(C(N)=O)nn1
InChIInChI=1S/C9H15N5O3S/c1-18(16,17)12-6-2-5-11-8-4-3-7(9(10)15)13-14-8/h3-4,12H,2,5-6H2,1H3,(H2,10,15)(H,11,14)
InChIKeyCIEFPOSMXFATSN-UHFFFAOYSA-N
XLogP-1.07
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridazine-3-carboxamide
CID 106342396
5-amino-2-[3-(methanesulfonamido)propylamino]pyridine-4-carboxamide
CID 106341882
6-(2-acetamidoethylamino)pyridazine-3-carboxamide
CID 79769956
6-(3-cyclopropylpropylamino)pyridazine-3-carboxamide
CID 115667673
6-(hex-5-ynylamino)pyridazine-3-carboxamide
CID 103757420
6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxamide
CID 103724970
6-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridazine-3-carboxamide
CID 112695977
6-[3-(N-methylanilino)propylamino]pyridazine-3-carboxamide
CID 79006061
6-(2-ethylsulfinylethylamino)pyridazine-3-carboxamide
CID 115667657
N-[3-[(5-chloro-2-pyridinyl)amino]propyl]methanesulfonamide
CID 103704919
5-amino-2-[3-(methanesulfonamido)propylamino]pyridine-3-carboxamide
CID 106333765
6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazine-3-carboxamide
CID 102913837

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methanesulfonamido)propylamino]pyridazine-3-carboxamide?
The IUPAC name of 6-[3-(methanesulfonamido)propylamino]pyridazine-3-carboxamide (CID 113246651) is 6-[3-(methanesulfonamido)propylamino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[3-(methanesulfonamido)propylamino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[3-(methanesulfonamido)propylamino]pyridazine-3-carboxamide is CS(=O)(=O)NCCCNc1ccc(C(N)=O)nn1.
What is the InChIKey of 6-[3-(methanesulfonamido)propylamino]pyridazine-3-carboxamide?
The InChIKey is CIEFPOSMXFATSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3S/c1-18(16,17)12-6-2-5-11-8-4-3-7(9(10)15)13-14-8/h3-4,12H,2,5-6H2,1H3,(H2,10,15)(H,11,14).
What are the key properties of 6-[3-(methanesulfonamido)propylamino]pyridazine-3-carboxamide?
6-[3-(methanesulfonamido)propylamino]pyridazine-3-carboxamide has a molecular weight of 273.32 g/mol, XLogP of -1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methanesulfonamido)propylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 113246651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).