N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-4-sulfonamide

C14H15N7O3S — CID 122289273

IUPACN-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-4-sulfonamide
SMILESO=S(=O)(NCCNc1ccc(Nc2ccncc2)nn1)c1cnoc1
InChIInChI=1S/C14H15N7O3S/c22-25(23,12-9-17-24-10-12)18-8-7-16-13-1-2-14(21-20-13)19-11-3-5-15-6-4-11/h1-6,9-10,18H,7-8H2,(H,16,20)(H,15,19,21)
InChIKeyYSLSMYUBGUJELQ-UHFFFAOYSA-N
MW361.39 g/mol
LogP0.99
Rot. Bonds8

About N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-4-sulfonamide

N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-4-sulfonamide (PubChem CID 122289273) has the molecular formula C14H15N7O3S and a molecular weight of 361.39 g/mol. Its IUPAC name is N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-4-sulfonamide
PubChem CID122289273
Molecular FormulaC14H15N7O3S
Molecular Weight361.39 g/mol
Exact Mass361.10
IUPAC NameN-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-4-sulfonamide
SMILESO=S(=O)(NCCNc1ccc(Nc2ccncc2)nn1)c1cnoc1
InChIInChI=1S/C14H15N7O3S/c22-25(23,12-9-17-24-10-12)18-8-7-16-13-1-2-14(21-20-13)19-11-3-5-15-6-4-11/h1-6,9-10,18H,7-8H2,(H,16,20)(H,15,19,21)
InChIKeyYSLSMYUBGUJELQ-UHFFFAOYSA-N
XLogP0.99
TPSA134.93 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-4-sulfonamide
CID 122289528
4-tert-butyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 121065135
4-(2-methyl-1,3-oxazol-4-yl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122289276
5-chloro-2-methyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122289230
5-bromo-2-ethoxy-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 121065174
2-oxo-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-3H-1,3-benzoxazole-5-sulfonamide
CID 122289513
N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122289537
N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-4-sulfonamide
CID 122290039
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-1,2-oxazole-4-sulfonamide
CID 122324772
4-methyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 121064548
3,5-dimethyl-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1H-pyrazole-4-sulfonamide
CID 122289503
4-acetyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 122289215

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-4-sulfonamide (CID 122289273) is N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-4-sulfonamide is O=S(=O)(NCCNc1ccc(Nc2ccncc2)nn1)c1cnoc1.
What is the InChIKey of N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is YSLSMYUBGUJELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O3S/c22-25(23,12-9-17-24-10-12)18-8-7-16-13-1-2-14(21-20-13)19-11-3-5-15-6-4-11/h1-6,9-10,18H,7-8H2,(H,16,20)(H,15,19,21).
What are the key properties of N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-4-sulfonamide?
N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 361.39 g/mol, XLogP of 0.99, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 122289273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).