(3R)-3-amino-3-quinoxalin-6-ylpropanenitrile

C11H10N4 — CID 55276938

IUPAC(3R)-3-amino-3-quinoxalin-6-ylpropanenitrile
SMILESN#CC[C@@H](N)c1ccc2nccnc2c1
InChIInChI=1S/C11H10N4/c12-4-3-9(13)8-1-2-10-11(7-8)15-6-5-14-10/h1-2,5-7,9H,3,13H2/t9-/m1/s1
InChIKeyIBMIOXIYHIRCCD-SECBINFHSA-N
MW198.23 g/mol
LogP1.54
Rot. Bonds2

About (3R)-3-amino-3-quinoxalin-6-ylpropanenitrile

(3R)-3-amino-3-quinoxalin-6-ylpropanenitrile (PubChem CID 55276938) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is (3R)-3-amino-3-quinoxalin-6-ylpropanenitrile.

Molecular Properties

Compound Name(3R)-3-amino-3-quinoxalin-6-ylpropanenitrile
PubChem CID55276938
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name(3R)-3-amino-3-quinoxalin-6-ylpropanenitrile
SMILESN#CC[C@@H](N)c1ccc2nccnc2c1
InChIInChI=1S/C11H10N4/c12-4-3-9(13)8-1-2-10-11(7-8)15-6-5-14-10/h1-2,5-7,9H,3,13H2/t9-/m1/s1
InChIKeyIBMIOXIYHIRCCD-SECBINFHSA-N
XLogP1.54
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-quinolin-6-ylpropanenitrile
CID 55273076
3-amino-3-(2-fluoro-4-pyridinyl)propanenitrile
CID 55293179
2-methoxy-1-quinoxalin-6-ylethanamine
CID 79015926
(3R)-3-amino-3-(2-chloro-4-pyridinyl)propanenitrile
CID 55276398
(3S)-3-amino-3-(3,4-difluorophenyl)propanenitrile
CID 130722844
2-propoxy-1-quinoxalin-6-ylethanamine
CID 79575217
3-amino-3-(4-amino-3-chlorophenyl)propanenitrile
CID 55268479
4-[(1R)-1-amino-2-cyanoethyl]pyridine-2-carboxylic acid
CID 130614729
4-phenyl-4-quinoxalin-6-ylbutanenitrile
CID 140665023
(3R)-3-amino-3-(6-fluoro-3-pyridinyl)propanenitrile
CID 55276182
(3S)-3-amino-3-(4-amino-3-hydroxyphenyl)propanenitrile
CID 130619063
3-amino-3-(4-propan-2-ylphenyl)propanenitrile
CID 55271456

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-quinoxalin-6-ylpropanenitrile?
The IUPAC name of (3R)-3-amino-3-quinoxalin-6-ylpropanenitrile (CID 55276938) is (3R)-3-amino-3-quinoxalin-6-ylpropanenitrile.
What is the SMILES notation for (3R)-3-amino-3-quinoxalin-6-ylpropanenitrile?
The canonical SMILES for (3R)-3-amino-3-quinoxalin-6-ylpropanenitrile is N#CC[C@@H](N)c1ccc2nccnc2c1.
What is the InChIKey of (3R)-3-amino-3-quinoxalin-6-ylpropanenitrile?
The InChIKey is IBMIOXIYHIRCCD-SECBINFHSA-N. The full InChI is InChI=1S/C11H10N4/c12-4-3-9(13)8-1-2-10-11(7-8)15-6-5-14-10/h1-2,5-7,9H,3,13H2/t9-/m1/s1.
What are the key properties of (3R)-3-amino-3-quinoxalin-6-ylpropanenitrile?
(3R)-3-amino-3-quinoxalin-6-ylpropanenitrile has a molecular weight of 198.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-quinoxalin-6-ylpropanenitrile is sourced from PubChem (CID 55276938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).