2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetonitrile

C8H10N4O2 — CID 103222651

IUPAC2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetonitrile
SMILESN#CCn1ncc(OCCN)cc1=O
InChIInChI=1S/C8H10N4O2/c9-1-3-12-8(13)5-7(6-11-12)14-4-2-10/h5-6H,2-4,10H2
InChIKeyRKPCKXWSPULNPX-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.90
Rot. Bonds4

About 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetonitrile

2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetonitrile (PubChem CID 103222651) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetonitrile
PubChem CID103222651
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetonitrile
SMILESN#CCn1ncc(OCCN)cc1=O
InChIInChI=1S/C8H10N4O2/c9-1-3-12-8(13)5-7(6-11-12)14-4-2-10/h5-6H,2-4,10H2
InChIKeyRKPCKXWSPULNPX-UHFFFAOYSA-N
XLogP-0.90
TPSA93.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetonitrile 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 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetonitrile?
The IUPAC name of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetonitrile (CID 103222651) is 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetonitrile is N#CCn1ncc(OCCN)cc1=O.
What is the InChIKey of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetonitrile?
The InChIKey is RKPCKXWSPULNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c9-1-3-12-8(13)5-7(6-11-12)14-4-2-10/h5-6H,2-4,10H2.
What are the key properties of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetonitrile?
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetonitrile has a molecular weight of 194.19 g/mol, XLogP of -0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetonitrile is sourced from PubChem (CID 103222651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).