[4-[(5-methylpyrazin-2-yl)methyl]morpholin-3-ylidene]cyanamide

C11H13N5O — CID 22946083

IUPAC[4-[(5-methylpyrazin-2-yl)methyl]morpholin-3-ylidene]cyanamide
SMILESCc1cnc(CN2CCOC/C2=N\C#N)cn1
InChIInChI=1S/C11H13N5O/c1-9-4-14-10(5-13-9)6-16-2-3-17-7-11(16)15-8-12/h4-5H,2-3,6-7H2,1H3/b15-11+
InChIKeyVGDQADPHULMVCO-RVDMUPIBSA-N
MW231.26 g/mol
LogP0.50
Rot. Bonds2

About [4-[(5-methylpyrazin-2-yl)methyl]morpholin-3-ylidene]cyanamide

[4-[(5-methylpyrazin-2-yl)methyl]morpholin-3-ylidene]cyanamide (PubChem CID 22946083) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is [4-[(5-methylpyrazin-2-yl)methyl]morpholin-3-ylidene]cyanamide.

Molecular Properties

Compound Name[4-[(5-methylpyrazin-2-yl)methyl]morpholin-3-ylidene]cyanamide
PubChem CID22946083
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name[4-[(5-methylpyrazin-2-yl)methyl]morpholin-3-ylidene]cyanamide
SMILESCc1cnc(CN2CCOC/C2=N\C#N)cn1
InChIInChI=1S/C11H13N5O/c1-9-4-14-10(5-13-9)6-16-2-3-17-7-11(16)15-8-12/h4-5H,2-3,6-7H2,1H3/b15-11+
InChIKeyVGDQADPHULMVCO-RVDMUPIBSA-N
XLogP0.50
TPSA74.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-methylpyrazin-2-yl)methyl]morpholin-3-ylidene]cyanamide?
The IUPAC name of [4-[(5-methylpyrazin-2-yl)methyl]morpholin-3-ylidene]cyanamide (CID 22946083) is [4-[(5-methylpyrazin-2-yl)methyl]morpholin-3-ylidene]cyanamide.
What is the SMILES notation for [4-[(5-methylpyrazin-2-yl)methyl]morpholin-3-ylidene]cyanamide?
The canonical SMILES for [4-[(5-methylpyrazin-2-yl)methyl]morpholin-3-ylidene]cyanamide is Cc1cnc(CN2CCOC/C2=N\C#N)cn1.
What is the InChIKey of [4-[(5-methylpyrazin-2-yl)methyl]morpholin-3-ylidene]cyanamide?
The InChIKey is VGDQADPHULMVCO-RVDMUPIBSA-N. The full InChI is InChI=1S/C11H13N5O/c1-9-4-14-10(5-13-9)6-16-2-3-17-7-11(16)15-8-12/h4-5H,2-3,6-7H2,1H3/b15-11+.
What are the key properties of [4-[(5-methylpyrazin-2-yl)methyl]morpholin-3-ylidene]cyanamide?
[4-[(5-methylpyrazin-2-yl)methyl]morpholin-3-ylidene]cyanamide has a molecular weight of 231.26 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methylpyrazin-2-yl)methyl]morpholin-3-ylidene]cyanamide is sourced from PubChem (CID 22946083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).