2-[(4-cyanopyridazin-3-yl)-ethylamino]-N,N-dimethylacetamide

C11H15N5O — CID 80510309

IUPAC2-[(4-cyanopyridazin-3-yl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1nnccc1C#N
InChIInChI=1S/C11H15N5O/c1-4-16(8-10(17)15(2)3)11-9(7-12)5-6-13-14-11/h5-6H,4,8H2,1-3H3
InChIKeyOUGFUVLQIKJXON-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.26
Rot. Bonds4

About 2-[(4-cyanopyridazin-3-yl)-ethylamino]-N,N-dimethylacetamide

2-[(4-cyanopyridazin-3-yl)-ethylamino]-N,N-dimethylacetamide (PubChem CID 80510309) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 2-[(4-cyanopyridazin-3-yl)-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-cyanopyridazin-3-yl)-ethylamino]-N,N-dimethylacetamide
PubChem CID80510309
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name2-[(4-cyanopyridazin-3-yl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1nnccc1C#N
InChIInChI=1S/C11H15N5O/c1-4-16(8-10(17)15(2)3)11-9(7-12)5-6-13-14-11/h5-6H,4,8H2,1-3H3
InChIKeyOUGFUVLQIKJXON-UHFFFAOYSA-N
XLogP0.26
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-cyanopyridazin-3-yl)-ethylamino]-N-propan-2-ylacetamide
CID 80510292
3-(dipropylamino)pyridazine-4-carbonitrile
CID 80508670
2-[(4-aminophenyl)methyl-(4-cyanopyridazin-3-yl)amino]acetamide
CID 80515581
2-(5-chloro-2-cyano-N-ethylanilino)-N,N-dimethylacetamide
CID 55181966
2-[(3-amino-4-cyano-2-pyridinyl)-ethylamino]acetamide
CID 103101208
3-[(4-cyanopyridazin-3-yl)-methylamino]-N-methylpropanamide
CID 106915460
2-(3-bromo-4-cyano-N-ethyl-2-fluoroanilino)-N,N-dimethylacetamide
CID 107533352
3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile
CID 106641792
3-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-4-carbonitrile
CID 80510544
3-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridazine-4-carbonitrile
CID 80510431
3-[butan-2-yl(butyl)amino]pyridazine-4-carbonitrile
CID 80510513
2-[[4-(aminomethyl)pyridazin-3-yl]-ethylamino]acetamide
CID 103101216

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanopyridazin-3-yl)-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-cyanopyridazin-3-yl)-ethylamino]-N,N-dimethylacetamide (CID 80510309) is 2-[(4-cyanopyridazin-3-yl)-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-cyanopyridazin-3-yl)-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-cyanopyridazin-3-yl)-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1nnccc1C#N.
What is the InChIKey of 2-[(4-cyanopyridazin-3-yl)-ethylamino]-N,N-dimethylacetamide?
The InChIKey is OUGFUVLQIKJXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-4-16(8-10(17)15(2)3)11-9(7-12)5-6-13-14-11/h5-6H,4,8H2,1-3H3.
What are the key properties of 2-[(4-cyanopyridazin-3-yl)-ethylamino]-N,N-dimethylacetamide?
2-[(4-cyanopyridazin-3-yl)-ethylamino]-N,N-dimethylacetamide has a molecular weight of 233.28 g/mol, XLogP of 0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanopyridazin-3-yl)-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 80510309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).