methyl 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholin-2-yl]acetate

C12H18N4O3 — CID 114448691

IUPACmethyl 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2nnc(C)c(C)n2)CCO1
InChIInChI=1S/C12H18N4O3/c1-8-9(2)14-15-12(13-8)16-4-5-19-10(7-16)6-11(17)18-3/h10H,4-7H2,1-3H3
InChIKeyFSBAASQGUJICKH-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.26
Rot. Bonds3

About methyl 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholin-2-yl]acetate

methyl 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholin-2-yl]acetate (PubChem CID 114448691) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholin-2-yl]acetate
PubChem CID114448691
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Namemethyl 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2nnc(C)c(C)n2)CCO1
InChIInChI=1S/C12H18N4O3/c1-8-9(2)14-15-12(13-8)16-4-5-19-10(7-16)6-11(17)18-3/h10H,4-7H2,1-3H3
InChIKeyFSBAASQGUJICKH-UHFFFAOYSA-N
XLogP0.26
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholin-2-yl]acetate with MolForge

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Related Compounds

2-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholine
CID 114787902
methyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate
CID 115973733
methyl 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate
CID 79839516
methyl 2-(4-pyridin-2-ylmorpholin-2-yl)acetate
CID 71977884
methyl 2-(4-quinolin-2-ylmorpholin-2-yl)acetate
CID 79764299
methyl 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]acetate
CID 79771135
methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate
CID 79770247
methyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 115538646
methyl 2-[4-(3-bromo-2-pyridinyl)morpholin-2-yl]acetate
CID 115538633
methyl 2-[4-(3-cyanopyrazin-2-yl)morpholin-2-yl]acetate
CID 79770872
methyl 2-[4-(5-methyl-1,2,4-oxadiazole-3-carbonyl)morpholin-2-yl]acetate
CID 113330663
methyl 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetate
CID 79822612

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholin-2-yl]acetate (CID 114448691) is methyl 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholin-2-yl]acetate is COC(=O)CC1CN(c2nnc(C)c(C)n2)CCO1.
What is the InChIKey of methyl 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholin-2-yl]acetate?
The InChIKey is FSBAASQGUJICKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8-9(2)14-15-12(13-8)16-4-5-19-10(7-16)6-11(17)18-3/h10H,4-7H2,1-3H3.
What are the key properties of methyl 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholin-2-yl]acetate?
methyl 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholin-2-yl]acetate has a molecular weight of 266.30 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholin-2-yl]acetate is sourced from PubChem (CID 114448691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).