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

C18H21N9O — CID 155595004

IUPAC5-[[6-(2-cyanopropan-2-yl)-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCC(C)(C#N)c1nnc(Nc2cnc(C#N)cn2)cc1NCC1CNCCO1
InChIInChI=1S/C18H21N9O/c1-18(2,11-20)17-14(23-9-13-8-21-3-4-28-13)5-15(26-27-17)25-16-10-22-12(6-19)7-24-16/h5,7,10,13,21H,3-4,8-9H2,1-2H3,(H2,23,24,25,26)
InChIKeyPPQDKZXYBMGZMM-UHFFFAOYSA-N
MW379.43 g/mol
LogP1.08
Rot. Bonds6

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

5-[[6-(2-cyanopropan-2-yl)-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 155595004) has the molecular formula C18H21N9O and a molecular weight of 379.43 g/mol. Its IUPAC name is 5-[[6-(2-cyanopropan-2-yl)-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-(2-cyanopropan-2-yl)-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID155595004
Molecular FormulaC18H21N9O
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name5-[[6-(2-cyanopropan-2-yl)-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCC(C)(C#N)c1nnc(Nc2cnc(C#N)cn2)cc1NCC1CNCCO1
InChIInChI=1S/C18H21N9O/c1-18(2,11-20)17-14(23-9-13-8-21-3-4-28-13)5-15(26-27-17)25-16-10-22-12(6-19)7-24-16/h5,7,10,13,21H,3-4,8-9H2,1-2H3,(H2,23,24,25,26)
InChIKeyPPQDKZXYBMGZMM-UHFFFAOYSA-N
XLogP1.08
TPSA144.46 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

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-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594587
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-(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-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane
CID 167696088
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
5-[[6-methyl-5-[[(2S)-morpholin-2-yl]methoxy]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 167562474
5-[[6-methyl-5-(morpholin-2-ylmethylsulfonyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 167564514

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(2-cyanopropan-2-yl)-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[6-(2-cyanopropan-2-yl)-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile (CID 155595004) is 5-[[6-(2-cyanopropan-2-yl)-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[6-(2-cyanopropan-2-yl)-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[6-(2-cyanopropan-2-yl)-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile is CC(C)(C#N)c1nnc(Nc2cnc(C#N)cn2)cc1NCC1CNCCO1.
What is the InChIKey of 5-[[6-(2-cyanopropan-2-yl)-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is PPQDKZXYBMGZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N9O/c1-18(2,11-20)17-14(23-9-13-8-21-3-4-28-13)5-15(26-27-17)25-16-10-22-12(6-19)7-24-16/h5,7,10,13,21H,3-4,8-9H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 5-[[6-(2-cyanopropan-2-yl)-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[6-(2-cyanopropan-2-yl)-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 379.43 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(2-cyanopropan-2-yl)-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 155595004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).