4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile

C18H20N6O — CID 122334084

IUPAC4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile
SMILESCN(C)c1ccc(N2CCN(C(=O)c3ccc(C#N)cc3)CC2)nn1
InChIInChI=1S/C18H20N6O/c1-22(2)16-7-8-17(21-20-16)23-9-11-24(12-10-23)18(25)15-5-3-14(13-19)4-6-15/h3-8H,9-12H2,1-2H3
InChIKeySGJXCILJGPNGLF-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.38
Rot. Bonds3

About 4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile

4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile (PubChem CID 122334084) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile
PubChem CID122334084
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile
SMILESCN(C)c1ccc(N2CCN(C(=O)c3ccc(C#N)cc3)CC2)nn1
InChIInChI=1S/C18H20N6O/c1-22(2)16-7-8-17(21-20-16)23-9-11-24(12-10-23)18(25)15-5-3-14(13-19)4-6-15/h3-8H,9-12H2,1-2H3
InChIKeySGJXCILJGPNGLF-UHFFFAOYSA-N
XLogP1.38
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone
CID 122334176
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 122334080
4-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile
CID 121145982
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile
CID 122339253
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 121053720
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121053718
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 60505849
4-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 110645062
[4-(dimethylamino)phenyl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110744372
3-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]benzonitrile
CID 171326896
(4-bromophenyl)-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053372
6-[4-(4-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110420683

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile?
The IUPAC name of 4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile (CID 122334084) is 4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile.
What is the SMILES notation for 4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile?
The canonical SMILES for 4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile is CN(C)c1ccc(N2CCN(C(=O)c3ccc(C#N)cc3)CC2)nn1.
What is the InChIKey of 4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile?
The InChIKey is SGJXCILJGPNGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-22(2)16-7-8-17(21-20-16)23-9-11-24(12-10-23)18(25)15-5-3-14(13-19)4-6-15/h3-8H,9-12H2,1-2H3.
What are the key properties of 4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile?
4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile has a molecular weight of 336.40 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile is sourced from PubChem (CID 122334084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).