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

C15H17N7O3S — CID 167564514

IUPAC5-[[6-methyl-5-(morpholin-2-ylmethylsulfonyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCc1nnc(Nc2cnc(C#N)cn2)cc1S(=O)(=O)CC1CNCCO1
InChIInChI=1S/C15H17N7O3S/c1-10-13(26(23,24)9-12-7-17-2-3-25-12)4-14(22-21-10)20-15-8-18-11(5-16)6-19-15/h4,6,8,12,17H,2-3,7,9H2,1H3,(H,19,20,22)
InChIKeyFCHLAOKLHRRHPD-UHFFFAOYSA-N
MW375.41 g/mol
LogP-0.05
Rot. Bonds5

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

5-[[6-methyl-5-(morpholin-2-ylmethylsulfonyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 167564514) has the molecular formula C15H17N7O3S and a molecular weight of 375.41 g/mol. Its IUPAC name is 5-[[6-methyl-5-(morpholin-2-ylmethylsulfonyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-methyl-5-(morpholin-2-ylmethylsulfonyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID167564514
Molecular FormulaC15H17N7O3S
Molecular Weight375.41 g/mol
Exact Mass375.11
IUPAC Name5-[[6-methyl-5-(morpholin-2-ylmethylsulfonyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCc1nnc(Nc2cnc(C#N)cn2)cc1S(=O)(=O)CC1CNCCO1
InChIInChI=1S/C15H17N7O3S/c1-10-13(26(23,24)9-12-7-17-2-3-25-12)4-14(22-21-10)20-15-8-18-11(5-16)6-19-15/h4,6,8,12,17H,2-3,7,9H2,1H3,(H,19,20,22)
InChIKeyFCHLAOKLHRRHPD-UHFFFAOYSA-N
XLogP-0.05
TPSA142.78 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594587
5-[[6-methyl-5-[[(2S)-morpholin-2-yl]methoxy]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 167562474
5-[[6-chloro-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594915
6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane
CID 167696088
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
6-[(5-cyanopyrazin-2-yl)amino]-N-[(3,5-dimethyl-4-pyridinyl)methyl]-4-(morpholin-2-ylmethylamino)pyridazine-3-carboxamide
CID 164599379
5-[[6-(2-methoxypropan-2-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594612
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(2S)-morpholin-2-yl]methylamino]pyridine-3-carboxylate
CID 86338719
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]-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-methyl-5-(morpholin-2-ylmethylsulfonyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[6-methyl-5-(morpholin-2-ylmethylsulfonyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile (CID 167564514) is 5-[[6-methyl-5-(morpholin-2-ylmethylsulfonyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[6-methyl-5-(morpholin-2-ylmethylsulfonyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[6-methyl-5-(morpholin-2-ylmethylsulfonyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile is Cc1nnc(Nc2cnc(C#N)cn2)cc1S(=O)(=O)CC1CNCCO1.
What is the InChIKey of 5-[[6-methyl-5-(morpholin-2-ylmethylsulfonyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is FCHLAOKLHRRHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O3S/c1-10-13(26(23,24)9-12-7-17-2-3-25-12)4-14(22-21-10)20-15-8-18-11(5-16)6-19-15/h4,6,8,12,17H,2-3,7,9H2,1H3,(H,19,20,22).
What are the key properties of 5-[[6-methyl-5-(morpholin-2-ylmethylsulfonyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[6-methyl-5-(morpholin-2-ylmethylsulfonyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 375.41 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-methyl-5-(morpholin-2-ylmethylsulfonyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 167564514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).