2-[(4-cyano-5,6-diethylpyridazin-3-yl)-ethylamino]acetamide

C13H19N5O — CID 103102403

IUPAC2-[(4-cyano-5,6-diethylpyridazin-3-yl)-ethylamino]acetamide
SMILESCCc1nnc(N(CC)CC(N)=O)c(C#N)c1CC
InChIInChI=1S/C13H19N5O/c1-4-9-10(7-14)13(17-16-11(9)5-2)18(6-3)8-12(15)19/h4-6,8H2,1-3H3,(H2,15,19)
InChIKeyMRTNUBKIFRBYAL-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.78
Rot. Bonds6

About 2-[(4-cyano-5,6-diethylpyridazin-3-yl)-ethylamino]acetamide

2-[(4-cyano-5,6-diethylpyridazin-3-yl)-ethylamino]acetamide (PubChem CID 103102403) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[(4-cyano-5,6-diethylpyridazin-3-yl)-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(4-cyano-5,6-diethylpyridazin-3-yl)-ethylamino]acetamide
PubChem CID103102403
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[(4-cyano-5,6-diethylpyridazin-3-yl)-ethylamino]acetamide
SMILESCCc1nnc(N(CC)CC(N)=O)c(C#N)c1CC
InChIInChI=1S/C13H19N5O/c1-4-9-10(7-14)13(17-16-11(9)5-2)18(6-3)8-12(15)19/h4-6,8H2,1-3H3,(H2,15,19)
InChIKeyMRTNUBKIFRBYAL-UHFFFAOYSA-N
XLogP0.78
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-5,6-diethylpyridazin-3-yl)-ethylamino]acetamide?
The IUPAC name of 2-[(4-cyano-5,6-diethylpyridazin-3-yl)-ethylamino]acetamide (CID 103102403) is 2-[(4-cyano-5,6-diethylpyridazin-3-yl)-ethylamino]acetamide.
What is the SMILES notation for 2-[(4-cyano-5,6-diethylpyridazin-3-yl)-ethylamino]acetamide?
The canonical SMILES for 2-[(4-cyano-5,6-diethylpyridazin-3-yl)-ethylamino]acetamide is CCc1nnc(N(CC)CC(N)=O)c(C#N)c1CC.
What is the InChIKey of 2-[(4-cyano-5,6-diethylpyridazin-3-yl)-ethylamino]acetamide?
The InChIKey is MRTNUBKIFRBYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-9-10(7-14)13(17-16-11(9)5-2)18(6-3)8-12(15)19/h4-6,8H2,1-3H3,(H2,15,19).
What are the key properties of 2-[(4-cyano-5,6-diethylpyridazin-3-yl)-ethylamino]acetamide?
2-[(4-cyano-5,6-diethylpyridazin-3-yl)-ethylamino]acetamide has a molecular weight of 261.33 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-5,6-diethylpyridazin-3-yl)-ethylamino]acetamide is sourced from PubChem (CID 103102403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).