3-[3-(dimethylamino)anilino]pyridazine-4-carbonitrile

C13H13N5 — CID 113297690

IUPAC3-[3-(dimethylamino)anilino]pyridazine-4-carbonitrile
SMILESCN(C)c1cccc(Nc2nnccc2C#N)c1
InChIInChI=1S/C13H13N5/c1-18(2)12-5-3-4-11(8-12)16-13-10(9-14)6-7-15-17-13/h3-8H,1-2H3,(H,16,17)
InChIKeyKRMVWNWLSPAMDD-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.16
Rot. Bonds3

About 3-[3-(dimethylamino)anilino]pyridazine-4-carbonitrile

3-[3-(dimethylamino)anilino]pyridazine-4-carbonitrile (PubChem CID 113297690) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[3-(dimethylamino)anilino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[3-(dimethylamino)anilino]pyridazine-4-carbonitrile
PubChem CID113297690
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name3-[3-(dimethylamino)anilino]pyridazine-4-carbonitrile
SMILESCN(C)c1cccc(Nc2nnccc2C#N)c1
InChIInChI=1S/C13H13N5/c1-18(2)12-5-3-4-11(8-12)16-13-10(9-14)6-7-15-17-13/h3-8H,1-2H3,(H,16,17)
InChIKeyKRMVWNWLSPAMDD-UHFFFAOYSA-N
XLogP2.16
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(dimethylamino)-4-methylanilino]pyridazine-4-carbonitrile
CID 115377531
5-bromo-2-[3-(dimethylamino)anilino]benzonitrile
CID 114890796
[3-(dimethylamino)phenyl]cyanamide
CID 115377794
2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 115376029
3-(2-phenylanilino)pyridazine-4-carbonitrile
CID 80508211
3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine
CID 115376107
3-N,3-N-dimethyl-1-N-pyridin-3-ylbenzene-1,3-diamine
CID 82537509
3-bromo-5-[3-(dimethylamino)anilino]benzonitrile
CID 102816999
3-[2-(trifluoromethyl)anilino]pyridazine-4-carbonitrile
CID 80509175
3-(propan-2-ylamino)pyridazine-4-carbonitrile
CID 14042730
3-(5-bromo-2-fluoroanilino)pyridazine-4-carbonitrile
CID 80509315
2-N-[3-(dimethylamino)phenyl]-6-methoxypyridine-2,3-diamine
CID 115376043

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)anilino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[3-(dimethylamino)anilino]pyridazine-4-carbonitrile (CID 113297690) is 3-[3-(dimethylamino)anilino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[3-(dimethylamino)anilino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[3-(dimethylamino)anilino]pyridazine-4-carbonitrile is CN(C)c1cccc(Nc2nnccc2C#N)c1.
What is the InChIKey of 3-[3-(dimethylamino)anilino]pyridazine-4-carbonitrile?
The InChIKey is KRMVWNWLSPAMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-18(2)12-5-3-4-11(8-12)16-13-10(9-14)6-7-15-17-13/h3-8H,1-2H3,(H,16,17).
What are the key properties of 3-[3-(dimethylamino)anilino]pyridazine-4-carbonitrile?
3-[3-(dimethylamino)anilino]pyridazine-4-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)anilino]pyridazine-4-carbonitrile is sourced from PubChem (CID 113297690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).