1JX

(2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one

Created:	2013-02-21
Last modified:	2013-03-20

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1 entries where 1JX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	1
Bond Count	22
Aromatic Bond Count	6

2D diagram of 1JX

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Chemical Component Summary
Name	(2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one
Systematic Name (OpenEye OEToolkits)	(2R)-2-methyl-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one
Formula	C₈ H₉ N₃ O
Molecular Weight	163.177
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2Nc1ncccc1NC2C
SMILES	CACTVS	3.370	C[CH]1Nc2cccnc2NC1=O
SMILES	OpenEye OEToolkits	1.7.6	CC1C(=O)Nc2c(cccn2)N1
Canonical SMILES	CACTVS	3.370	C[C@H]1Nc2cccnc2NC1=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@@H]1C(=O)Nc2c(cccn2)N1
InChI	InChI	1.03	InChI=1S/C8H9N3O/c1-5-8(12)11-7-6(10-5)3-2-4-9-7/h2-5,10H,1H3,(H,9,11,12)/t5-/m1/s1
InChIKey	InChI	1.03	XMOQIVFMYHKHRR-RXMQYKEDSA-N

Related Resource References

Resource Name	Reference
PubChem	92974617
ChEMBL	CHEMBL3984982

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