4-[6-(methylamino)pyrazin-2-yl]morpholine-2-carbonitrile

C10H13N5O — CID 80849516

IUPAC4-[6-(methylamino)pyrazin-2-yl]morpholine-2-carbonitrile
SMILESCNc1cncc(N2CCOC(C#N)C2)n1
InChIInChI=1S/C10H13N5O/c1-12-9-5-13-6-10(14-9)15-2-3-16-8(4-11)7-15/h5-6,8H,2-3,7H2,1H3,(H,12,14)
InChIKeyWBVADVPEIWDDQJ-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.25
Rot. Bonds2

About 4-[6-(methylamino)pyrazin-2-yl]morpholine-2-carbonitrile

4-[6-(methylamino)pyrazin-2-yl]morpholine-2-carbonitrile (PubChem CID 80849516) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 4-[6-(methylamino)pyrazin-2-yl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[6-(methylamino)pyrazin-2-yl]morpholine-2-carbonitrile
PubChem CID80849516
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name4-[6-(methylamino)pyrazin-2-yl]morpholine-2-carbonitrile
SMILESCNc1cncc(N2CCOC(C#N)C2)n1
InChIInChI=1S/C10H13N5O/c1-12-9-5-13-6-10(14-9)15-2-3-16-8(4-11)7-15/h5-6,8H,2-3,7H2,1H3,(H,12,14)
InChIKeyWBVADVPEIWDDQJ-UHFFFAOYSA-N
XLogP0.25
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(methylamino)pyrazin-2-yl]morpholine-2-carbonitrile?
The IUPAC name of 4-[6-(methylamino)pyrazin-2-yl]morpholine-2-carbonitrile (CID 80849516) is 4-[6-(methylamino)pyrazin-2-yl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[6-(methylamino)pyrazin-2-yl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[6-(methylamino)pyrazin-2-yl]morpholine-2-carbonitrile is CNc1cncc(N2CCOC(C#N)C2)n1.
What is the InChIKey of 4-[6-(methylamino)pyrazin-2-yl]morpholine-2-carbonitrile?
The InChIKey is WBVADVPEIWDDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-12-9-5-13-6-10(14-9)15-2-3-16-8(4-11)7-15/h5-6,8H,2-3,7H2,1H3,(H,12,14).
What are the key properties of 4-[6-(methylamino)pyrazin-2-yl]morpholine-2-carbonitrile?
4-[6-(methylamino)pyrazin-2-yl]morpholine-2-carbonitrile has a molecular weight of 219.25 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(methylamino)pyrazin-2-yl]morpholine-2-carbonitrile is sourced from PubChem (CID 80849516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).