methyl 2-[4-(3-cyanopyrazin-2-yl)morpholin-2-yl]acetate

C12H14N4O3 — CID 79770872

IUPACmethyl 2-[4-(3-cyanopyrazin-2-yl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2nccnc2C#N)CCO1
InChIInChI=1S/C12H14N4O3/c1-18-11(17)6-9-8-16(4-5-19-9)12-10(7-13)14-2-3-15-12/h2-3,9H,4-6,8H2,1H3
InChIKeyUDNKCVOSRLVAFA-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.12
Rot. Bonds3

About methyl 2-[4-(3-cyanopyrazin-2-yl)morpholin-2-yl]acetate

methyl 2-[4-(3-cyanopyrazin-2-yl)morpholin-2-yl]acetate (PubChem CID 79770872) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is methyl 2-[4-(3-cyanopyrazin-2-yl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-cyanopyrazin-2-yl)morpholin-2-yl]acetate
PubChem CID79770872
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Namemethyl 2-[4-(3-cyanopyrazin-2-yl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2nccnc2C#N)CCO1
InChIInChI=1S/C12H14N4O3/c1-18-11(17)6-9-8-16(4-5-19-9)12-10(7-13)14-2-3-15-12/h2-3,9H,4-6,8H2,1H3
InChIKeyUDNKCVOSRLVAFA-UHFFFAOYSA-N
XLogP0.12
TPSA88.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-(3-cyanopyrazin-2-yl)morpholin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-cyanopyrazin-2-yl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(3-cyanopyrazin-2-yl)morpholin-2-yl]acetate (CID 79770872) is methyl 2-[4-(3-cyanopyrazin-2-yl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(3-cyanopyrazin-2-yl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(3-cyanopyrazin-2-yl)morpholin-2-yl]acetate is COC(=O)CC1CN(c2nccnc2C#N)CCO1.
What is the InChIKey of methyl 2-[4-(3-cyanopyrazin-2-yl)morpholin-2-yl]acetate?
The InChIKey is UDNKCVOSRLVAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-18-11(17)6-9-8-16(4-5-19-9)12-10(7-13)14-2-3-15-12/h2-3,9H,4-6,8H2,1H3.
What are the key properties of methyl 2-[4-(3-cyanopyrazin-2-yl)morpholin-2-yl]acetate?
methyl 2-[4-(3-cyanopyrazin-2-yl)morpholin-2-yl]acetate has a molecular weight of 262.27 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-cyanopyrazin-2-yl)morpholin-2-yl]acetate is sourced from PubChem (CID 79770872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).