methyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)-propan-2-ylamino]acetate

C13H18N4O2 — CID 55006851

IUPACmethyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(c1nnc(C)c(C)c1C#N)C(C)C
InChIInChI=1S/C13H18N4O2/c1-8(2)17(7-12(18)19-5)13-11(6-14)9(3)10(4)15-16-13/h8H,7H2,1-5H3
InChIKeyYMVBUCFYKCIUQA-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.35
Rot. Bonds4

About methyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)-propan-2-ylamino]acetate

methyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)-propan-2-ylamino]acetate (PubChem CID 55006851) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)-propan-2-ylamino]acetate
PubChem CID55006851
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Namemethyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(c1nnc(C)c(C)c1C#N)C(C)C
InChIInChI=1S/C13H18N4O2/c1-8(2)17(7-12(18)19-5)13-11(6-14)9(3)10(4)15-16-13/h8H,7H2,1-5H3
InChIKeyYMVBUCFYKCIUQA-UHFFFAOYSA-N
XLogP1.35
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)-propan-2-ylamino]acetate (CID 55006851) is methyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)-propan-2-ylamino]acetate is COC(=O)CN(c1nnc(C)c(C)c1C#N)C(C)C.
What is the InChIKey of methyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)-propan-2-ylamino]acetate?
The InChIKey is YMVBUCFYKCIUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8(2)17(7-12(18)19-5)13-11(6-14)9(3)10(4)15-16-13/h8H,7H2,1-5H3.
What are the key properties of methyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)-propan-2-ylamino]acetate?
methyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)-propan-2-ylamino]acetate has a molecular weight of 262.31 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)-propan-2-ylamino]acetate is sourced from PubChem (CID 55006851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).