1-[(4-ethylmorpholin-2-yl)methyl]imidazole-4,5-dicarbonitrile

C12H15N5O — CID 112595470

IUPAC1-[(4-ethylmorpholin-2-yl)methyl]imidazole-4,5-dicarbonitrile
SMILESCCN1CCOC(Cn2cnc(C#N)c2C#N)C1
InChIInChI=1S/C12H15N5O/c1-2-16-3-4-18-10(7-16)8-17-9-15-11(5-13)12(17)6-14/h9-10H,2-4,7-8H2,1H3
InChIKeyAHHVAGPBJDYZKS-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.35
Rot. Bonds3

About 1-[(4-ethylmorpholin-2-yl)methyl]imidazole-4,5-dicarbonitrile

1-[(4-ethylmorpholin-2-yl)methyl]imidazole-4,5-dicarbonitrile (PubChem CID 112595470) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-[(4-ethylmorpholin-2-yl)methyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-[(4-ethylmorpholin-2-yl)methyl]imidazole-4,5-dicarbonitrile
PubChem CID112595470
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1-[(4-ethylmorpholin-2-yl)methyl]imidazole-4,5-dicarbonitrile
SMILESCCN1CCOC(Cn2cnc(C#N)c2C#N)C1
InChIInChI=1S/C12H15N5O/c1-2-16-3-4-18-10(7-16)8-17-9-15-11(5-13)12(17)6-14/h9-10H,2-4,7-8H2,1H3
InChIKeyAHHVAGPBJDYZKS-UHFFFAOYSA-N
XLogP0.35
TPSA77.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]imidazole-4,5-dicarbonitrile (CID 112595470) is 1-[(4-ethylmorpholin-2-yl)methyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-[(4-ethylmorpholin-2-yl)methyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-[(4-ethylmorpholin-2-yl)methyl]imidazole-4,5-dicarbonitrile is CCN1CCOC(Cn2cnc(C#N)c2C#N)C1.
What is the InChIKey of 1-[(4-ethylmorpholin-2-yl)methyl]imidazole-4,5-dicarbonitrile?
The InChIKey is AHHVAGPBJDYZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-16-3-4-18-10(7-16)8-17-9-15-11(5-13)12(17)6-14/h9-10H,2-4,7-8H2,1H3.
What are the key properties of 1-[(4-ethylmorpholin-2-yl)methyl]imidazole-4,5-dicarbonitrile?
1-[(4-ethylmorpholin-2-yl)methyl]imidazole-4,5-dicarbonitrile has a molecular weight of 245.29 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylmorpholin-2-yl)methyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).