methyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate

C9H10N4O2 — CID 80510253

IUPACmethyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate
SMILESCOC(=O)CCNc1nnccc1C#N
InChIInChI=1S/C9H10N4O2/c1-15-8(14)3-4-11-9-7(6-10)2-5-12-13-9/h2,5H,3-4H2,1H3,(H,11,13)
InChIKeyJLACORMIHXJTCV-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.32
Rot. Bonds4

About methyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate

methyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate (PubChem CID 80510253) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is methyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate
PubChem CID80510253
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Namemethyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate
SMILESCOC(=O)CCNc1nnccc1C#N
InChIInChI=1S/C9H10N4O2/c1-15-8(14)3-4-11-9-7(6-10)2-5-12-13-9/h2,5H,3-4H2,1H3,(H,11,13)
InChIKeyJLACORMIHXJTCV-UHFFFAOYSA-N
XLogP0.32
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate
CID 55028439
7-[(4-cyanopyridazin-3-yl)amino]heptanoic acid
CID 80508044
3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile
CID 80510325
3-(3-methylsulfonylpropylamino)pyridazine-4-carbonitrile
CID 80510566
4-[2-[(4-cyanopyridazin-3-yl)amino]ethyl]benzoic acid
CID 80507896
2-[(4-cyanopyridazin-3-yl)amino]-N-propylacetamide
CID 80509456
N-tert-butyl-2-[(4-cyanopyridazin-3-yl)amino]acetamide
CID 115356285
3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509420
2-[(4-cyanopyridazin-3-yl)amino]-N,N-dimethylethanesulfonamide
CID 106338532
3-[[(E)-but-2-enyl]amino]pyridazine-4-carbonitrile
CID 131246897
3-(2-phenylethylamino)pyridazine-4-carbonitrile
CID 80509461
3-[2-[di(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile
CID 80509197

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate?
The IUPAC name of methyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate (CID 80510253) is methyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate is COC(=O)CCNc1nnccc1C#N.
What is the InChIKey of methyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate?
The InChIKey is JLACORMIHXJTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-15-8(14)3-4-11-9-7(6-10)2-5-12-13-9/h2,5H,3-4H2,1H3,(H,11,13).
What are the key properties of methyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate?
methyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate has a molecular weight of 206.21 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate is sourced from PubChem (CID 80510253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).