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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Related Compounds

2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-ethylmorpholine
CID 116620880
9-[(4-ethylmorpholin-2-yl)methyl]purin-6-amine
CID 79182824
5-bromo-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 114583459
1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one
CID 116618394
3-[(4-ethylmorpholin-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 114400968
2-(4-ethylmorpholin-2-yl)acetonitrile
CID 79164435
3-[(4-ethylmorpholin-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 114400969
2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]propan-2-amine
CID 114707763
1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione
CID 114400408
3-amino-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-4-carbonitrile
CID 114399414
2,4-diethylmorpholine
CID 58988021
1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-2-carbonitrile
CID 79165770

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).