methyl 2-(4,6-diethyltriazin-5-yl)propanoate

C11H17N3O2 — CID 10242694

IUPACmethyl 2-(4,6-diethyltriazin-5-yl)propanoate
SMILESCCc1nnnc(CC)c1C(C)C(=O)OC
InChIInChI=1S/C11H17N3O2/c1-5-8-10(7(3)11(15)16-4)9(6-2)13-14-12-8/h7H,5-6H2,1-4H3
InChIKeyKAUPURUJPGYYAG-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.27
Rot. Bonds4

About methyl 2-(4,6-diethyltriazin-5-yl)propanoate

methyl 2-(4,6-diethyltriazin-5-yl)propanoate (PubChem CID 10242694) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 2-(4,6-diethyltriazin-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(4,6-diethyltriazin-5-yl)propanoate
PubChem CID10242694
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 2-(4,6-diethyltriazin-5-yl)propanoate
SMILESCCc1nnnc(CC)c1C(C)C(=O)OC
InChIInChI=1S/C11H17N3O2/c1-5-8-10(7(3)11(15)16-4)9(6-2)13-14-12-8/h7H,5-6H2,1-4H3
InChIKeyKAUPURUJPGYYAG-UHFFFAOYSA-N
XLogP1.27
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(6-chloro-2-ethyl-3-pyridinyl)propanoate
CID 118000541
methyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate
CID 105362420
methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 124679700
methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 60668865
methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate
CID 112669747
methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-2-methylpropanoate
CID 112671090
methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropanoate
CID 105363266
methyl 2-(4-cyano-5,6-diethylpyridazin-3-yl)sulfanylpropanoate
CID 133373419
methyl 3-(methoxyamino)-2-methylpropanoate
CID 60702587
methyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)propanoate
CID 77230842
methyl 2-(2H-triazol-4-yl)propanoate
CID 70394798
methyl 2-(1H-imidazol-2-yl)propanoate
CID 67005810

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,6-diethyltriazin-5-yl)propanoate?
The IUPAC name of methyl 2-(4,6-diethyltriazin-5-yl)propanoate (CID 10242694) is methyl 2-(4,6-diethyltriazin-5-yl)propanoate.
What is the SMILES notation for methyl 2-(4,6-diethyltriazin-5-yl)propanoate?
The canonical SMILES for methyl 2-(4,6-diethyltriazin-5-yl)propanoate is CCc1nnnc(CC)c1C(C)C(=O)OC.
What is the InChIKey of methyl 2-(4,6-diethyltriazin-5-yl)propanoate?
The InChIKey is KAUPURUJPGYYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-5-8-10(7(3)11(15)16-4)9(6-2)13-14-12-8/h7H,5-6H2,1-4H3.
What are the key properties of methyl 2-(4,6-diethyltriazin-5-yl)propanoate?
methyl 2-(4,6-diethyltriazin-5-yl)propanoate has a molecular weight of 223.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,6-diethyltriazin-5-yl)propanoate is sourced from PubChem (CID 10242694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).