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

C20H28N8 — CID 155594902

IUPAC5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCC1CC(CNc2cc(Nc3cnc(C#N)cn3)nnc2C(C)C)CC(C)N1
InChIInChI=1S/C20H28N8/c1-12(2)20-17(23-9-15-5-13(3)25-14(4)6-15)7-18(27-28-20)26-19-11-22-16(8-21)10-24-19/h7,10-15,25H,5-6,9H2,1-4H3,(H2,23,24,26,27)
InChIKeyQLDFYLGHRLBBNX-UHFFFAOYSA-N
MW380.50 g/mol
LogP3.19
Rot. Bonds6

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

5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 155594902) has the molecular formula C20H28N8 and a molecular weight of 380.50 g/mol. Its IUPAC name is 5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID155594902
Molecular FormulaC20H28N8
Molecular Weight380.50 g/mol
Exact Mass380.24
IUPAC Name5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCC1CC(CNc2cc(Nc3cnc(C#N)cn3)nnc2C(C)C)CC(C)N1
InChIInChI=1S/C20H28N8/c1-12(2)20-17(23-9-15-5-13(3)25-14(4)6-15)7-18(27-28-20)26-19-11-22-16(8-21)10-24-19/h7,10-15,25H,5-6,9H2,1-4H3,(H2,23,24,26,27)
InChIKeyQLDFYLGHRLBBNX-UHFFFAOYSA-N
XLogP3.19
TPSA111.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile (CID 155594902) is 5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile is CC1CC(CNc2cc(Nc3cnc(C#N)cn3)nnc2C(C)C)CC(C)N1.
What is the InChIKey of 5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is QLDFYLGHRLBBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N8/c1-12(2)20-17(23-9-15-5-13(3)25-14(4)6-15)7-18(27-28-20)26-19-11-22-16(8-21)10-24-19/h7,10-15,25H,5-6,9H2,1-4H3,(H2,23,24,26,27).
What are the key properties of 5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 380.50 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 155594902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).