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

C14H15ClN8O — CID 155594915

IUPAC5-[[6-chloro-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NC[C@H]3CNCCO3)c(Cl)nn2)cn1
InChIInChI=1S/C14H15ClN8O/c15-14-11(19-7-10-6-17-1-2-24-10)3-12(22-23-14)21-13-8-18-9(4-16)5-20-13/h3,5,8,10,17H,1-2,6-7H2,(H2,19,20,21,22)/t10-/m1/s1
InChIKeyBVSFTVHZODHQMT-SNVBAGLBSA-N
MW346.78 g/mol
LogP0.94
Rot. Bonds5

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

5-[[6-chloro-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 155594915) has the molecular formula C14H15ClN8O and a molecular weight of 346.78 g/mol. Its IUPAC name is 5-[[6-chloro-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-chloro-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID155594915
Molecular FormulaC14H15ClN8O
Molecular Weight346.78 g/mol
Exact Mass346.11
IUPAC Name5-[[6-chloro-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NC[C@H]3CNCCO3)c(Cl)nn2)cn1
InChIInChI=1S/C14H15ClN8O/c15-14-11(19-7-10-6-17-1-2-24-10)3-12(22-23-14)21-13-8-18-9(4-16)5-20-13/h3,5,8,10,17H,1-2,6-7H2,(H2,19,20,21,22)/t10-/m1/s1
InChIKeyBVSFTVHZODHQMT-SNVBAGLBSA-N
XLogP0.94
TPSA120.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.78
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[[6-chloro-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile with MolForge

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Related Compounds

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-[[5-(morpholin-2-ylmethylamino)-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594643
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
5-[[6-(3-methoxy-3-methylbut-1-ynyl)-5-[[(2S)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594865
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-[(3,5-dimethyl-4-pyridinyl)methyl]-4-(morpholin-2-ylmethylamino)pyridazine-3-carboxamide
CID 164599379
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
5-[[6-methyl-5-[[(2S)-morpholin-2-yl]methoxy]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 167562474

Frequently Asked Questions

What is the IUPAC name of 5-[[6-chloro-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[6-chloro-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile (CID 155594915) is 5-[[6-chloro-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[6-chloro-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[6-chloro-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(NC[C@H]3CNCCO3)c(Cl)nn2)cn1.
What is the InChIKey of 5-[[6-chloro-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is BVSFTVHZODHQMT-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15ClN8O/c15-14-11(19-7-10-6-17-1-2-24-10)3-12(22-23-14)21-13-8-18-9(4-16)5-20-13/h3,5,8,10,17H,1-2,6-7H2,(H2,19,20,21,22)/t10-/m1/s1.
What are the key properties of 5-[[6-chloro-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[6-chloro-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 346.78 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-chloro-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 155594915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).