5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile

C15H18N8O — CID 155594587

IUPAC5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCc1nnc(Nc2cnc(C#N)cn2)cc1NCC1CNCCO1
InChIInChI=1S/C15H18N8O/c1-10-13(19-8-12-7-17-2-3-24-12)4-14(23-22-10)21-15-9-18-11(5-16)6-20-15/h4,6,9,12,17H,2-3,7-8H2,1H3,(H2,19,20,21,23)
InChIKeyCJSUNOXAHAOVIJ-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.59
Rot. Bonds5

About 5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile

5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 155594587) has the molecular formula C15H18N8O and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID155594587
Molecular FormulaC15H18N8O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCc1nnc(Nc2cnc(C#N)cn2)cc1NCC1CNCCO1
InChIInChI=1S/C15H18N8O/c1-10-13(19-8-12-7-17-2-3-24-12)4-14(23-22-10)21-15-9-18-11(5-16)6-20-15/h4,6,9,12,17H,2-3,7-8H2,1H3,(H2,19,20,21,23)
InChIKeyCJSUNOXAHAOVIJ-UHFFFAOYSA-N
XLogP0.59
TPSA120.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

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
5-[[6-methyl-5-[[(2S)-morpholin-2-yl]methoxy]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 167562474
6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane
CID 167696088
5-[[6-methyl-5-(morpholin-2-ylmethylsulfonyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 167564514
5-[[6-(3-methoxy-3-methylbut-1-ynyl)-5-[[(2S)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594865
6-[(5-cyanopyrazin-2-yl)amino]-N-[(3,5-dimethyl-4-pyridinyl)methyl]-4-(morpholin-2-ylmethylamino)pyridazine-3-carboxamide
CID 164599379
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(2S)-morpholin-2-yl]methylamino]pyridine-3-carboxylate
CID 86338719
1-methyl-3-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazole-5-carbonitrile
CID 155594753

Frequently Asked Questions

What is the IUPAC name of 5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile (CID 155594587) is 5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile is Cc1nnc(Nc2cnc(C#N)cn2)cc1NCC1CNCCO1.
What is the InChIKey of 5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is CJSUNOXAHAOVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O/c1-10-13(19-8-12-7-17-2-3-24-12)4-14(23-22-10)21-15-9-18-11(5-16)6-20-15/h4,6,9,12,17H,2-3,7-8H2,1H3,(H2,19,20,21,23).
What are the key properties of 5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 326.36 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 155594587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).