1-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]imidazole-4-sulfonamide

C14H21N7O3S — CID 122321727

IUPAC1-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCNc2cc(N3CCOCC3)cnn2)c1
InChIInChI=1S/C14H21N7O3S/c1-20-10-14(16-11-20)25(22,23)18-3-2-15-13-8-12(9-17-19-13)21-4-6-24-7-5-21/h8-11,18H,2-7H2,1H3,(H,15,19)
InChIKeyQYZNFQLCAFMYIZ-UHFFFAOYSA-N
MW367.44 g/mol
LogP-0.56
Rot. Bonds7

About 1-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]imidazole-4-sulfonamide

1-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]imidazole-4-sulfonamide (PubChem CID 122321727) has the molecular formula C14H21N7O3S and a molecular weight of 367.44 g/mol. Its IUPAC name is 1-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]imidazole-4-sulfonamide
PubChem CID122321727
Molecular FormulaC14H21N7O3S
Molecular Weight367.44 g/mol
Exact Mass367.14
IUPAC Name1-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCNc2cc(N3CCOCC3)cnn2)c1
InChIInChI=1S/C14H21N7O3S/c1-20-10-14(16-11-20)25(22,23)18-3-2-15-13-8-12(9-17-19-13)21-4-6-24-7-5-21/h8-11,18H,2-7H2,1H3,(H,15,19)
InChIKeyQYZNFQLCAFMYIZ-UHFFFAOYSA-N
XLogP-0.56
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]imidazole-4-sulfonamide (CID 122321727) is 1-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCNc2cc(N3CCOCC3)cnn2)c1.
What is the InChIKey of 1-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]imidazole-4-sulfonamide?
The InChIKey is QYZNFQLCAFMYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O3S/c1-20-10-14(16-11-20)25(22,23)18-3-2-15-13-8-12(9-17-19-13)21-4-6-24-7-5-21/h8-11,18H,2-7H2,1H3,(H,15,19).
What are the key properties of 1-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]imidazole-4-sulfonamide?
1-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]imidazole-4-sulfonamide has a molecular weight of 367.44 g/mol, XLogP of -0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 122321727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).