N'-(2-chloro-6-prop-1-enylimidazo[1,2-b]pyridazin-3-yl)sulfonyl-N,N-bis(2-methylpropyl)methanimidamide

C18H26ClN5O2S — CID 68535409

IUPACN'-(2-chloro-6-prop-1-enylimidazo[1,2-b]pyridazin-3-yl)sulfonyl-N,N-bis(2-methylpropyl)methanimidamide
SMILESCC=Cc1ccc2nc(Cl)c(S(=O)(=O)N=CN(CC(C)C)CC(C)C)n2n1
InChIInChI=1S/C18H26ClN5O2S/c1-6-7-15-8-9-16-21-17(19)18(24(16)22-15)27(25,26)20-12-23(10-13(2)3)11-14(4)5/h6-9,12-14H,10-11H2,1-5H3
InChIKeyQHTVFRJIDCROKK-UHFFFAOYSA-N
MW411.96 g/mol
LogP3.75
Rot. Bonds8

About N'-(2-chloro-6-prop-1-enylimidazo[1,2-b]pyridazin-3-yl)sulfonyl-N,N-bis(2-methylpropyl)methanimidamide

N'-(2-chloro-6-prop-1-enylimidazo[1,2-b]pyridazin-3-yl)sulfonyl-N,N-bis(2-methylpropyl)methanimidamide (PubChem CID 68535409) has the molecular formula C18H26ClN5O2S and a molecular weight of 411.96 g/mol. Its IUPAC name is N'-(2-chloro-6-prop-1-enylimidazo[1,2-b]pyridazin-3-yl)sulfonyl-N,N-bis(2-methylpropyl)methanimidamide.

Molecular Properties

Compound NameN'-(2-chloro-6-prop-1-enylimidazo[1,2-b]pyridazin-3-yl)sulfonyl-N,N-bis(2-methylpropyl)methanimidamide
PubChem CID68535409
Molecular FormulaC18H26ClN5O2S
Molecular Weight411.96 g/mol
Exact Mass411.15
IUPAC NameN'-(2-chloro-6-prop-1-enylimidazo[1,2-b]pyridazin-3-yl)sulfonyl-N,N-bis(2-methylpropyl)methanimidamide
SMILESCC=Cc1ccc2nc(Cl)c(S(=O)(=O)N=CN(CC(C)C)CC(C)C)n2n1
InChIInChI=1S/C18H26ClN5O2S/c1-6-7-15-8-9-16-21-17(19)18(24(16)22-15)27(25,26)20-12-23(10-13(2)3)11-14(4)5/h6-9,12-14H,10-11H2,1-5H3
InChIKeyQHTVFRJIDCROKK-UHFFFAOYSA-N
XLogP3.75
TPSA79.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-6-prop-1-enylimidazo[1,2-b]pyridazin-3-yl)sulfonyl-N,N-bis(2-methylpropyl)methanimidamide?
The IUPAC name of N'-(2-chloro-6-prop-1-enylimidazo[1,2-b]pyridazin-3-yl)sulfonyl-N,N-bis(2-methylpropyl)methanimidamide (CID 68535409) is N'-(2-chloro-6-prop-1-enylimidazo[1,2-b]pyridazin-3-yl)sulfonyl-N,N-bis(2-methylpropyl)methanimidamide.
What is the SMILES notation for N'-(2-chloro-6-prop-1-enylimidazo[1,2-b]pyridazin-3-yl)sulfonyl-N,N-bis(2-methylpropyl)methanimidamide?
The canonical SMILES for N'-(2-chloro-6-prop-1-enylimidazo[1,2-b]pyridazin-3-yl)sulfonyl-N,N-bis(2-methylpropyl)methanimidamide is CC=Cc1ccc2nc(Cl)c(S(=O)(=O)N=CN(CC(C)C)CC(C)C)n2n1.
What is the InChIKey of N'-(2-chloro-6-prop-1-enylimidazo[1,2-b]pyridazin-3-yl)sulfonyl-N,N-bis(2-methylpropyl)methanimidamide?
The InChIKey is QHTVFRJIDCROKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN5O2S/c1-6-7-15-8-9-16-21-17(19)18(24(16)22-15)27(25,26)20-12-23(10-13(2)3)11-14(4)5/h6-9,12-14H,10-11H2,1-5H3.
What are the key properties of N'-(2-chloro-6-prop-1-enylimidazo[1,2-b]pyridazin-3-yl)sulfonyl-N,N-bis(2-methylpropyl)methanimidamide?
N'-(2-chloro-6-prop-1-enylimidazo[1,2-b]pyridazin-3-yl)sulfonyl-N,N-bis(2-methylpropyl)methanimidamide has a molecular weight of 411.96 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-6-prop-1-enylimidazo[1,2-b]pyridazin-3-yl)sulfonyl-N,N-bis(2-methylpropyl)methanimidamide is sourced from PubChem (CID 68535409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).