6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane

C16H21N9O2S — CID 167696088

IUPAC6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane
SMILESCNC(=O)c1nnc(Nc2cnc(C#N)cn2)cc1NC[C@@H]1CNCCO1.S
InChIInChI=1S/C16H19N9O2.H2S/c1-18-16(26)15-12(21-8-11-7-19-2-3-27-11)4-13(24-25-15)23-14-9-20-10(5-17)6-22-14;/h4,6,9,11,19H,2-3,7-8H2,1H3,(H,18,26)(H2,21,22,23,24);1H2/t11-;/m0./s1
InChIKeyXRGNLJZUCIMXSP-MERQFXBCSA-N
MW403.47 g/mol
LogP-0.25
Rot. Bonds6

About 6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane

6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane (PubChem CID 167696088) has the molecular formula C16H21N9O2S and a molecular weight of 403.47 g/mol. Its IUPAC name is 6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane.

Molecular Properties

Compound Name6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane
PubChem CID167696088
Molecular FormulaC16H21N9O2S
Molecular Weight403.47 g/mol
Exact Mass403.15
IUPAC Name6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane
SMILESCNC(=O)c1nnc(Nc2cnc(C#N)cn2)cc1NC[C@@H]1CNCCO1.S
InChIInChI=1S/C16H19N9O2.H2S/c1-18-16(26)15-12(21-8-11-7-19-2-3-27-11)4-13(24-25-15)23-14-9-20-10(5-17)6-22-14;/h4,6,9,11,19H,2-3,7-8H2,1H3,(H,18,26)(H2,21,22,23,24);1H2/t11-;/m0./s1
InChIKeyXRGNLJZUCIMXSP-MERQFXBCSA-N
XLogP-0.25
TPSA149.77 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

6-[(5-cyanopyrazin-2-yl)amino]-N-[(3,5-dimethyl-4-pyridinyl)methyl]-4-(morpholin-2-ylmethylamino)pyridazine-3-carboxamide
CID 164599379
6-[(6-cyano-3-pyridinyl)amino]-N-methyl-4-(morpholin-2-ylmethylamino)pyridazine-3-carboxamide
CID 155594611
6-[(6-cyano-3-pyridinyl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide
CID 164598893
6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)-N-(1H-pyrrol-3-ylmethyl)pyridazine-3-carboxamide
CID 164599054
5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594587
5-[[6-isocyano-5-[[(2S)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 164942061
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
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(2S)-morpholin-2-yl]methylamino]pyridine-3-carboxylate
CID 86338719
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
5-[[6-(3-methoxy-3-methylbut-1-ynyl)-5-[[(2S)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594865

Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane?
The IUPAC name of 6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane (CID 167696088) is 6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane.
What is the SMILES notation for 6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane?
The canonical SMILES for 6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane is CNC(=O)c1nnc(Nc2cnc(C#N)cn2)cc1NC[C@@H]1CNCCO1.S.
What is the InChIKey of 6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane?
The InChIKey is XRGNLJZUCIMXSP-MERQFXBCSA-N. The full InChI is InChI=1S/C16H19N9O2.H2S/c1-18-16(26)15-12(21-8-11-7-19-2-3-27-11)4-13(24-25-15)23-14-9-20-10(5-17)6-22-14;/h4,6,9,11,19H,2-3,7-8H2,1H3,(H,18,26)(H2,21,22,23,24);1H2/t11-;/m0./s1.
What are the key properties of 6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane?
6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane has a molecular weight of 403.47 g/mol, XLogP of -0.25, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane is sourced from PubChem (CID 167696088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).