5-[[5-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-methoxypyridazin-3-yl]amino]pyrazine-2-carbonitrile

C18H24N8O — CID 155594911

IUPAC5-[[5-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-methoxypyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1nnc(Nc2cnc(C#N)cn2)cc1NCC1(C)CCN(C)CC1
InChIInChI=1S/C18H24N8O/c1-18(4-6-26(2)7-5-18)12-22-14-8-15(24-25-17(14)27-3)23-16-11-20-13(9-19)10-21-16/h8,10-11H,4-7,12H2,1-3H3,(H2,21,22,23,24)
InChIKeyIRYUMGHKJVQNHY-UHFFFAOYSA-N
MW368.45 g/mol
LogP2.03
Rot. Bonds6

About 5-[[5-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-methoxypyridazin-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-methoxypyridazin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 155594911) has the molecular formula C18H24N8O and a molecular weight of 368.45 g/mol. Its IUPAC name is 5-[[5-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-methoxypyridazin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-methoxypyridazin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID155594911
Molecular FormulaC18H24N8O
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name5-[[5-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-methoxypyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1nnc(Nc2cnc(C#N)cn2)cc1NCC1(C)CCN(C)CC1
InChIInChI=1S/C18H24N8O/c1-18(4-6-26(2)7-5-18)12-22-14-8-15(24-25-17(14)27-3)23-16-11-20-13(9-19)10-21-16/h8,10-11H,4-7,12H2,1-3H3,(H2,21,22,23,24)
InChIKeyIRYUMGHKJVQNHY-UHFFFAOYSA-N
XLogP2.03
TPSA111.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-methoxypyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-methoxypyridazin-3-yl]amino]pyrazine-2-carbonitrile (CID 155594911) is 5-[[5-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-methoxypyridazin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-methoxypyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-methoxypyridazin-3-yl]amino]pyrazine-2-carbonitrile is COc1nnc(Nc2cnc(C#N)cn2)cc1NCC1(C)CCN(C)CC1.
What is the InChIKey of 5-[[5-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-methoxypyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is IRYUMGHKJVQNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O/c1-18(4-6-26(2)7-5-18)12-22-14-8-15(24-25-17(14)27-3)23-16-11-20-13(9-19)10-21-16/h8,10-11H,4-7,12H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 5-[[5-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-methoxypyridazin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-methoxypyridazin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 368.45 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-methoxypyridazin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 155594911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).