4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]morpholine-3-carboxylic acid

C11H15N5O4 — CID 114388503

IUPAC4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]morpholine-3-carboxylic acid
SMILESCc1nnc(NC(=O)N2CCOCC2C(=O)O)nc1C
InChIInChI=1S/C11H15N5O4/c1-6-7(2)14-15-10(12-6)13-11(19)16-3-4-20-5-8(16)9(17)18/h8H,3-5H2,1-2H3,(H,17,18)(H,12,13,15,19)
InChIKeyJPTOLCZDPODEFN-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.19
Rot. Bonds2

About 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]morpholine-3-carboxylic acid

4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]morpholine-3-carboxylic acid (PubChem CID 114388503) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]morpholine-3-carboxylic acid
PubChem CID114388503
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]morpholine-3-carboxylic acid
SMILESCc1nnc(NC(=O)N2CCOCC2C(=O)O)nc1C
InChIInChI=1S/C11H15N5O4/c1-6-7(2)14-15-10(12-6)13-11(19)16-3-4-20-5-8(16)9(17)18/h8H,3-5H2,1-2H3,(H,17,18)(H,12,13,15,19)
InChIKeyJPTOLCZDPODEFN-UHFFFAOYSA-N
XLogP-0.19
TPSA117.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,4R)-1-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 104919539
1-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 114388391
4-(3,6-dimethylpyridazine-4-carbonyl)morpholine-3-carboxylic acid
CID 113439193
4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid
CID 83017669
(3R)-4-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholine-3-carboxylic acid
CID 125153746
4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholine-3-carboxylic acid
CID 106097979
4-[(1-propylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid
CID 113364388
4-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid
CID 114116894
4-[(2-bromo-6-fluorophenyl)carbamoyl]morpholine-3-carboxylic acid
CID 107601863
4-(3-methylsulfanylbutylcarbamoyl)morpholine-3-carboxylic acid
CID 113363829
(3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid
CID 124513696
4-[2-(2,4-dimethylquinolin-3-yl)acetyl]morpholine-3-carboxylic acid
CID 126772920

Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]morpholine-3-carboxylic acid (CID 114388503) is 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]morpholine-3-carboxylic acid is Cc1nnc(NC(=O)N2CCOCC2C(=O)O)nc1C.
What is the InChIKey of 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]morpholine-3-carboxylic acid?
The InChIKey is JPTOLCZDPODEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4/c1-6-7(2)14-15-10(12-6)13-11(19)16-3-4-20-5-8(16)9(17)18/h8H,3-5H2,1-2H3,(H,17,18)(H,12,13,15,19).
What are the key properties of 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]morpholine-3-carboxylic acid?
4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]morpholine-3-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 114388503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).