5-[[6-iodo-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile

C15H17IN8O — CID 155594661

IUPAC5-[[6-iodo-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCN1CCOC(CNc2cc(Nc3cnc(C#N)cn3)nnc2I)C1
InChIInChI=1S/C15H17IN8O/c1-24-2-3-25-11(9-24)7-19-12-4-13(22-23-15(12)16)21-14-8-18-10(5-17)6-20-14/h4,6,8,11H,2-3,7,9H2,1H3,(H2,19,20,21,22)
InChIKeyBUNGISCNCREHBB-UHFFFAOYSA-N
MW452.26 g/mol
LogP1.23
Rot. Bonds5

About 5-[[6-iodo-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile

5-[[6-iodo-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 155594661) has the molecular formula C15H17IN8O and a molecular weight of 452.26 g/mol. Its IUPAC name is 5-[[6-iodo-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-iodo-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID155594661
Molecular FormulaC15H17IN8O
Molecular Weight452.26 g/mol
Exact Mass452.06
IUPAC Name5-[[6-iodo-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCN1CCOC(CNc2cc(Nc3cnc(C#N)cn3)nnc2I)C1
InChIInChI=1S/C15H17IN8O/c1-24-2-3-25-11(9-24)7-19-12-4-13(22-23-15(12)16)21-14-8-18-10(5-17)6-20-14/h4,6,8,11H,2-3,7,9H2,1H3,(H2,19,20,21,22)
InChIKeyBUNGISCNCREHBB-UHFFFAOYSA-N
XLogP1.23
TPSA111.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.26
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

5-[[6-(1,1-difluoroethyl)-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155595018
tert-butyl 2-[[[6-[(5-cyanopyrazin-2-yl)amino]-3-(trifluoromethyl)pyridazin-4-yl]amino]methyl]morpholine-4-carboxylate
CID 155594867
5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594587
5-[[6-chloro-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594915
5-[[5-(morpholin-2-ylmethylamino)-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594643
5-[[6-isocyano-5-[[(2S)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 164942061
5-[[6-(2-cyanopropan-2-yl)-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155595004
5-[[6-(2-methoxypropan-2-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594612
6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane
CID 167696088
6-cyano-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide
CID 115602812
5-[[6-(3-methoxy-3-methylbut-1-ynyl)-5-[[(2S)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594865
2-[(4-methylmorpholin-2-yl)methylamino]benzonitrile
CID 78916182

Frequently Asked Questions

What is the IUPAC name of 5-[[6-iodo-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[6-iodo-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile (CID 155594661) is 5-[[6-iodo-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[6-iodo-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[6-iodo-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile is CN1CCOC(CNc2cc(Nc3cnc(C#N)cn3)nnc2I)C1.
What is the InChIKey of 5-[[6-iodo-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is BUNGISCNCREHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN8O/c1-24-2-3-25-11(9-24)7-19-12-4-13(22-23-15(12)16)21-14-8-18-10(5-17)6-20-14/h4,6,8,11H,2-3,7,9H2,1H3,(H2,19,20,21,22).
What are the key properties of 5-[[6-iodo-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[6-iodo-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 452.26 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-iodo-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 155594661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).