8-amino-6-(5-cyano-2-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonitrile

C15H11N7O — CID 59313948

IUPAC8-amino-6-(5-cyano-2-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESCOc1ccc(C#N)cc1Nc1cc(N)c2ncc(C#N)n2n1
InChIInChI=1S/C15H11N7O/c1-23-13-3-2-9(6-16)4-12(13)20-14-5-11(18)15-19-8-10(7-17)22(15)21-14/h2-5,8H,18H2,1H3,(H,20,21)
InChIKeyRUAIKBPURGEGIA-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.81
Rot. Bonds3

About 8-amino-6-(5-cyano-2-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonitrile

8-amino-6-(5-cyano-2-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 59313948) has the molecular formula C15H11N7O and a molecular weight of 305.30 g/mol. Its IUPAC name is 8-amino-6-(5-cyano-2-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name8-amino-6-(5-cyano-2-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonitrile
PubChem CID59313948
Molecular FormulaC15H11N7O
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Name8-amino-6-(5-cyano-2-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESCOc1ccc(C#N)cc1Nc1cc(N)c2ncc(C#N)n2n1
InChIInChI=1S/C15H11N7O/c1-23-13-3-2-9(6-16)4-12(13)20-14-5-11(18)15-19-8-10(7-17)22(15)21-14/h2-5,8H,18H2,1H3,(H,20,21)
InChIKeyRUAIKBPURGEGIA-UHFFFAOYSA-N
XLogP1.81
TPSA125.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Related Compounds

8-amino-6-(5-cyano-2-methylanilino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 70958008
6-(5-cyano-2-methoxyanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313726
6-(5-cyano-2-methoxyanilino)-8-(2-fluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 88868704
6-(5-cyano-2-methylanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313875
3-[(4-amino-5-methyl-2-pyridinyl)amino]-4-methylbenzonitrile
CID 83266542
N-amino-N-[3-[(8-amino-3-cyanoimidazo[1,2-b]pyridazin-6-yl)amino]-5-fluorophenyl]-N'-ethylmethanimidamide
CID 143973959
6-(3-amino-5-cyanoanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 45378019
3-[(5-aminopyrimidin-4-yl)amino]-4-methylbenzonitrile
CID 79917359
8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 143973991
4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile
CID 79915853
4-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methoxybenzonitrile
CID 104850224
5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile
CID 54860696

Frequently Asked Questions

What is the IUPAC name of 8-amino-6-(5-cyano-2-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 8-amino-6-(5-cyano-2-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonitrile (CID 59313948) is 8-amino-6-(5-cyano-2-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 8-amino-6-(5-cyano-2-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 8-amino-6-(5-cyano-2-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonitrile is COc1ccc(C#N)cc1Nc1cc(N)c2ncc(C#N)n2n1.
What is the InChIKey of 8-amino-6-(5-cyano-2-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is RUAIKBPURGEGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N7O/c1-23-13-3-2-9(6-16)4-12(13)20-14-5-11(18)15-19-8-10(7-17)22(15)21-14/h2-5,8H,18H2,1H3,(H,20,21).
What are the key properties of 8-amino-6-(5-cyano-2-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonitrile?
8-amino-6-(5-cyano-2-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 305.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-(5-cyano-2-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 59313948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).