2-[(1S)-1-(chloroamino)ethyl]imidazo[1,2-b]pyridazine-7-carbonitrile

C9H8ClN5 — CID 166825140

IUPAC2-[(1S)-1-(chloroamino)ethyl]imidazo[1,2-b]pyridazine-7-carbonitrile
SMILESC[C@H](NCl)c1cn2ncc(C#N)cc2n1
InChIInChI=1S/C9H8ClN5/c1-6(14-10)8-5-15-9(13-8)2-7(3-11)4-12-15/h2,4-6,14H,1H3/t6-/m0/s1
InChIKeyQAQQGBUCWWRQMN-LURJTMIESA-N
MW221.65 g/mol
LogP1.41
Rot. Bonds2

About 2-[(1S)-1-(chloroamino)ethyl]imidazo[1,2-b]pyridazine-7-carbonitrile

2-[(1S)-1-(chloroamino)ethyl]imidazo[1,2-b]pyridazine-7-carbonitrile (PubChem CID 166825140) has the molecular formula C9H8ClN5 and a molecular weight of 221.65 g/mol. Its IUPAC name is 2-[(1S)-1-(chloroamino)ethyl]imidazo[1,2-b]pyridazine-7-carbonitrile.

Molecular Properties

Compound Name2-[(1S)-1-(chloroamino)ethyl]imidazo[1,2-b]pyridazine-7-carbonitrile
PubChem CID166825140
Molecular FormulaC9H8ClN5
Molecular Weight221.65 g/mol
Exact Mass221.05
IUPAC Name2-[(1S)-1-(chloroamino)ethyl]imidazo[1,2-b]pyridazine-7-carbonitrile
SMILESC[C@H](NCl)c1cn2ncc(C#N)cc2n1
InChIInChI=1S/C9H8ClN5/c1-6(14-10)8-5-15-9(13-8)2-7(3-11)4-12-15/h2,4-6,14H,1H3/t6-/m0/s1
InChIKeyQAQQGBUCWWRQMN-LURJTMIESA-N
XLogP1.41
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(chloroamino)ethyl]imidazo[1,2-b]pyridazine-7-carbonitrile?
The IUPAC name of 2-[(1S)-1-(chloroamino)ethyl]imidazo[1,2-b]pyridazine-7-carbonitrile (CID 166825140) is 2-[(1S)-1-(chloroamino)ethyl]imidazo[1,2-b]pyridazine-7-carbonitrile.
What is the SMILES notation for 2-[(1S)-1-(chloroamino)ethyl]imidazo[1,2-b]pyridazine-7-carbonitrile?
The canonical SMILES for 2-[(1S)-1-(chloroamino)ethyl]imidazo[1,2-b]pyridazine-7-carbonitrile is C[C@H](NCl)c1cn2ncc(C#N)cc2n1.
What is the InChIKey of 2-[(1S)-1-(chloroamino)ethyl]imidazo[1,2-b]pyridazine-7-carbonitrile?
The InChIKey is QAQQGBUCWWRQMN-LURJTMIESA-N. The full InChI is InChI=1S/C9H8ClN5/c1-6(14-10)8-5-15-9(13-8)2-7(3-11)4-12-15/h2,4-6,14H,1H3/t6-/m0/s1.
What are the key properties of 2-[(1S)-1-(chloroamino)ethyl]imidazo[1,2-b]pyridazine-7-carbonitrile?
2-[(1S)-1-(chloroamino)ethyl]imidazo[1,2-b]pyridazine-7-carbonitrile has a molecular weight of 221.65 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(chloroamino)ethyl]imidazo[1,2-b]pyridazine-7-carbonitrile is sourced from PubChem (CID 166825140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).