2-cyano-N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]-N-methylacetamide

C12H14N6O — CID 141385936

IUPAC2-cyano-N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]-N-methylacetamide
SMILESCN(CCNc1ccc2nccn2n1)C(=O)CC#N
InChIInChI=1S/C12H14N6O/c1-17(12(19)4-5-13)8-6-14-10-2-3-11-15-7-9-18(11)16-10/h2-3,7,9H,4,6,8H2,1H3,(H,14,16)
InChIKeyKDNLLMUPGKJQHL-UHFFFAOYSA-N
MW258.29 g/mol
LogP0.51
Rot. Bonds5

About 2-cyano-N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]-N-methylacetamide

2-cyano-N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]-N-methylacetamide (PubChem CID 141385936) has the molecular formula C12H14N6O and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-cyano-N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]-N-methylacetamide
PubChem CID141385936
Molecular FormulaC12H14N6O
Molecular Weight258.29 g/mol
Exact Mass258.12
IUPAC Name2-cyano-N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]-N-methylacetamide
SMILESCN(CCNc1ccc2nccn2n1)C(=O)CC#N
InChIInChI=1S/C12H14N6O/c1-17(12(19)4-5-13)8-6-14-10-2-3-11-15-7-9-18(11)16-10/h2-3,7,9H,4,6,8H2,1H3,(H,14,16)
InChIKeyKDNLLMUPGKJQHL-UHFFFAOYSA-N
XLogP0.51
TPSA86.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]carbamate
CID 19854428
N-(2-methylsulfanylethyl)imidazo[1,2-b]pyridazin-6-amine
CID 130718345
4-(imidazo[1,2-b]pyridazin-6-ylamino)butan-1-ol
CID 175786677
1-(imidazo[1,2-b]pyridazin-6-ylamino)-2-methylpropan-2-ol
CID 151019019
imidazo[1,2-b]pyridazine-6-carbohydrazide
CID 169101293
N-(3-methyl-2-morpholin-4-ylbutyl)imidazo[1,2-b]pyridazin-6-amine
CID 71850432
2-[6-(2-hydroxyethylamino)imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanoic acid
CID 141002290
2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 82127602
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-6-amine
CID 167950833
2-cyano-N-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 82130384
6-[2-(dimethylamino)ethylamino]-N,N-diethylpyridine-3-carboxamide
CID 109153766
1-imidazo[1,2-b]pyridazin-6-yl-2-phenylhydrazine
CID 127261754

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]-N-methylacetamide?
The IUPAC name of 2-cyano-N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]-N-methylacetamide (CID 141385936) is 2-cyano-N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-cyano-N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]-N-methylacetamide?
The canonical SMILES for 2-cyano-N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]-N-methylacetamide is CN(CCNc1ccc2nccn2n1)C(=O)CC#N.
What is the InChIKey of 2-cyano-N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]-N-methylacetamide?
The InChIKey is KDNLLMUPGKJQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-17(12(19)4-5-13)8-6-14-10-2-3-11-15-7-9-18(11)16-10/h2-3,7,9H,4,6,8H2,1H3,(H,14,16).
What are the key properties of 2-cyano-N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]-N-methylacetamide?
2-cyano-N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]-N-methylacetamide has a molecular weight of 258.29 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]-N-methylacetamide is sourced from PubChem (CID 141385936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).