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

C15H11N7 — CID 70958008

IUPAC8-amino-6-(5-cyano-2-methylanilino)imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESCc1ccc(C#N)cc1Nc1cc(N)c2ncc(C#N)n2n1
InChIInChI=1S/C15H11N7/c1-9-2-3-10(6-16)4-13(9)20-14-5-12(18)15-19-8-11(7-17)22(15)21-14/h2-5,8H,18H2,1H3,(H,20,21)
InChIKeyWUIAOABZPWYKCI-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.11
Rot. Bonds2

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

8-amino-6-(5-cyano-2-methylanilino)imidazo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 70958008) has the molecular formula C15H11N7 and a molecular weight of 289.30 g/mol. Its IUPAC name is 8-amino-6-(5-cyano-2-methylanilino)imidazo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name8-amino-6-(5-cyano-2-methylanilino)imidazo[1,2-b]pyridazine-3-carbonitrile
PubChem CID70958008
Molecular FormulaC15H11N7
Molecular Weight289.30 g/mol
Exact Mass289.11
IUPAC Name8-amino-6-(5-cyano-2-methylanilino)imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESCc1ccc(C#N)cc1Nc1cc(N)c2ncc(C#N)n2n1
InChIInChI=1S/C15H11N7/c1-9-2-3-10(6-16)4-13(9)20-14-5-12(18)15-19-8-11(7-17)22(15)21-14/h2-5,8H,18H2,1H3,(H,20,21)
InChIKeyWUIAOABZPWYKCI-UHFFFAOYSA-N
XLogP2.11
TPSA115.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313948
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
3-[(5-aminopyrimidin-4-yl)amino]-4-methylbenzonitrile
CID 79917359
6-(5-cyano-2-methoxyanilino)-8-(2-fluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 88868704
5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile
CID 62103720
6-(5-cyano-2-methoxyanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313726
N-amino-N-[3-[(8-amino-3-cyanoimidazo[1,2-b]pyridazin-6-yl)amino]-5-fluorophenyl]-N'-ethylmethanimidamide
CID 143973959
3-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-4-methylbenzonitrile
CID 80908717
3-[(3-amino-6-chloro-2-pyridinyl)amino]-4-methylbenzonitrile
CID 115474055
4-amino-3-(2,5-dimethylanilino)benzonitrile
CID 104711457
methyl N-[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-4-methylphenyl]carbamate
CID 59314022

Frequently Asked Questions

What is the IUPAC name of 8-amino-6-(5-cyano-2-methylanilino)imidazo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 8-amino-6-(5-cyano-2-methylanilino)imidazo[1,2-b]pyridazine-3-carbonitrile (CID 70958008) is 8-amino-6-(5-cyano-2-methylanilino)imidazo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 8-amino-6-(5-cyano-2-methylanilino)imidazo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 8-amino-6-(5-cyano-2-methylanilino)imidazo[1,2-b]pyridazine-3-carbonitrile is Cc1ccc(C#N)cc1Nc1cc(N)c2ncc(C#N)n2n1.
What is the InChIKey of 8-amino-6-(5-cyano-2-methylanilino)imidazo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is WUIAOABZPWYKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N7/c1-9-2-3-10(6-16)4-13(9)20-14-5-12(18)15-19-8-11(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-methylanilino)imidazo[1,2-b]pyridazine-3-carbonitrile?
8-amino-6-(5-cyano-2-methylanilino)imidazo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 289.30 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-(5-cyano-2-methylanilino)imidazo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 70958008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).