5-[[5-(morpholin-2-ylmethylamino)-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile

C17H22N8O — CID 155594643

IUPAC5-[[5-(morpholin-2-ylmethylamino)-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCC(C)c1nnc(Nc2cnc(C#N)cn2)cc1NCC1CNCCO1
InChIInChI=1S/C17H22N8O/c1-11(2)17-14(21-9-13-8-19-3-4-26-13)5-15(24-25-17)23-16-10-20-12(6-18)7-22-16/h5,7,10-11,13,19H,3-4,8-9H2,1-2H3,(H2,21,22,23,24)
InChIKeyAYKPDWFULPTFTR-UHFFFAOYSA-N
MW354.42 g/mol
LogP1.41
Rot. Bonds6

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

5-[[5-(morpholin-2-ylmethylamino)-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 155594643) has the molecular formula C17H22N8O and a molecular weight of 354.42 g/mol. Its IUPAC name is 5-[[5-(morpholin-2-ylmethylamino)-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-(morpholin-2-ylmethylamino)-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID155594643
Molecular FormulaC17H22N8O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC Name5-[[5-(morpholin-2-ylmethylamino)-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCC(C)c1nnc(Nc2cnc(C#N)cn2)cc1NCC1CNCCO1
InChIInChI=1S/C17H22N8O/c1-11(2)17-14(21-9-13-8-19-3-4-26-13)5-15(24-25-17)23-16-10-20-12(6-18)7-22-16/h5,7,10-11,13,19H,3-4,8-9H2,1-2H3,(H2,21,22,23,24)
InChIKeyAYKPDWFULPTFTR-UHFFFAOYSA-N
XLogP1.41
TPSA120.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(morpholin-2-ylmethylamino)-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-(morpholin-2-ylmethylamino)-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile (CID 155594643) is 5-[[5-(morpholin-2-ylmethylamino)-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-(morpholin-2-ylmethylamino)-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-(morpholin-2-ylmethylamino)-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile is CC(C)c1nnc(Nc2cnc(C#N)cn2)cc1NCC1CNCCO1.
What is the InChIKey of 5-[[5-(morpholin-2-ylmethylamino)-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is AYKPDWFULPTFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O/c1-11(2)17-14(21-9-13-8-19-3-4-26-13)5-15(24-25-17)23-16-10-20-12(6-18)7-22-16/h5,7,10-11,13,19H,3-4,8-9H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 5-[[5-(morpholin-2-ylmethylamino)-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-(morpholin-2-ylmethylamino)-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 354.42 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(morpholin-2-ylmethylamino)-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 155594643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).