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

C15H18N8O — CID 155594587

IUPAC5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCc1nnc(Nc2cnc(C#N)cn2)cc1NCC1CNCCO1
InChIInChI=1S/C15H18N8O/c1-10-13(19-8-12-7-17-2-3-24-12)4-14(23-22-10)21-15-9-18-11(5-16)6-20-15/h4,6,9,12,17H,2-3,7-8H2,1H3,(H2,19,20,21,23)
InChIKeyCJSUNOXAHAOVIJ-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.59
Rot. Bonds5

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

5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 155594587) has the molecular formula C15H18N8O and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID155594587
Molecular FormulaC15H18N8O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCc1nnc(Nc2cnc(C#N)cn2)cc1NCC1CNCCO1
InChIInChI=1S/C15H18N8O/c1-10-13(19-8-12-7-17-2-3-24-12)4-14(23-22-10)21-15-9-18-11(5-16)6-20-15/h4,6,9,12,17H,2-3,7-8H2,1H3,(H2,19,20,21,23)
InChIKeyCJSUNOXAHAOVIJ-UHFFFAOYSA-N
XLogP0.59
TPSA120.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile (CID 155594587) is 5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile is Cc1nnc(Nc2cnc(C#N)cn2)cc1NCC1CNCCO1.
What is the InChIKey of 5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is CJSUNOXAHAOVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O/c1-10-13(19-8-12-7-17-2-3-24-12)4-14(23-22-10)21-15-9-18-11(5-16)6-20-15/h4,6,9,12,17H,2-3,7-8H2,1H3,(H2,19,20,21,23).
What are the key properties of 5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 326.36 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 155594587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).