5-[[6-(2-methoxypropan-2-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile

C18H24N8O2 — CID 155594612

IUPAC5-[[6-(2-methoxypropan-2-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOC(C)(C)c1nnc(Nc2cnc(C#N)cn2)cc1NC[C@H]1CNCCO1
InChIInChI=1S/C18H24N8O2/c1-18(2,27-3)17-14(22-10-13-9-20-4-5-28-13)6-15(25-26-17)24-16-11-21-12(7-19)8-23-16/h6,8,11,13,20H,4-5,9-10H2,1-3H3,(H2,22,23,24,25)/t13-/m1/s1
InChIKeyLQPMAMISMLBBRI-CYBMUJFWSA-N
MW384.44 g/mol
LogP1.16
Rot. Bonds7

About 5-[[6-(2-methoxypropan-2-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile

5-[[6-(2-methoxypropan-2-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 155594612) has the molecular formula C18H24N8O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-[[6-(2-methoxypropan-2-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-(2-methoxypropan-2-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID155594612
Molecular FormulaC18H24N8O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC Name5-[[6-(2-methoxypropan-2-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOC(C)(C)c1nnc(Nc2cnc(C#N)cn2)cc1NC[C@H]1CNCCO1
InChIInChI=1S/C18H24N8O2/c1-18(2,27-3)17-14(22-10-13-9-20-4-5-28-13)6-15(25-26-17)24-16-11-21-12(7-19)8-23-16/h6,8,11,13,20H,4-5,9-10H2,1-3H3,(H2,22,23,24,25)/t13-/m1/s1
InChIKeyLQPMAMISMLBBRI-CYBMUJFWSA-N
XLogP1.16
TPSA129.90 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

5-[[6-(2-cyanopropan-2-yl)-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155595004
5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594587
5-[[6-(3-methoxy-3-methylbut-1-ynyl)-5-[[(2S)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594865
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
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(2S)-morpholin-2-yl]methylamino]pyridine-3-carboxylate
CID 86338719
6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane
CID 167696088
6-[(5-cyanopyrazin-2-yl)amino]-N-[(3,5-dimethyl-4-pyridinyl)methyl]-4-(morpholin-2-ylmethylamino)pyridazine-3-carboxamide
CID 164599379
5-[[6-methyl-5-[[(2S)-morpholin-2-yl]methoxy]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 167562474
5-[[6-(1-cyclopropylpyrazol-3-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155595047
6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)-N-(1H-pyrrol-3-ylmethyl)pyridazine-3-carboxamide
CID 164599054

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(2-methoxypropan-2-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[6-(2-methoxypropan-2-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile (CID 155594612) is 5-[[6-(2-methoxypropan-2-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[6-(2-methoxypropan-2-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[6-(2-methoxypropan-2-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile is COC(C)(C)c1nnc(Nc2cnc(C#N)cn2)cc1NC[C@H]1CNCCO1.
What is the InChIKey of 5-[[6-(2-methoxypropan-2-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is LQPMAMISMLBBRI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N8O2/c1-18(2,27-3)17-14(22-10-13-9-20-4-5-28-13)6-15(25-26-17)24-16-11-21-12(7-19)8-23-16/h6,8,11,13,20H,4-5,9-10H2,1-3H3,(H2,22,23,24,25)/t13-/m1/s1.
What are the key properties of 5-[[6-(2-methoxypropan-2-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[6-(2-methoxypropan-2-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 384.44 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(2-methoxypropan-2-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 155594612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).