5,6-dimethyl-3-[(5-methyl-3-pyridinyl)amino]pyridazine-4-carbonitrile

C13H13N5 — CID 107585528

IUPAC5,6-dimethyl-3-[(5-methyl-3-pyridinyl)amino]pyridazine-4-carbonitrile
SMILESCc1cncc(Nc2nnc(C)c(C)c2C#N)c1
InChIInChI=1S/C13H13N5/c1-8-4-11(7-15-6-8)16-13-12(5-14)9(2)10(3)17-18-13/h4,6-7H,1-3H3,(H,16,18)
InChIKeyIQWOHAICLFOYFP-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.41
Rot. Bonds2

About 5,6-dimethyl-3-[(5-methyl-3-pyridinyl)amino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[(5-methyl-3-pyridinyl)amino]pyridazine-4-carbonitrile (PubChem CID 107585528) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(5-methyl-3-pyridinyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[(5-methyl-3-pyridinyl)amino]pyridazine-4-carbonitrile
PubChem CID107585528
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name5,6-dimethyl-3-[(5-methyl-3-pyridinyl)amino]pyridazine-4-carbonitrile
SMILESCc1cncc(Nc2nnc(C)c(C)c2C#N)c1
InChIInChI=1S/C13H13N5/c1-8-4-11(7-15-6-8)16-13-12(5-14)9(2)10(3)17-18-13/h4,6-7H,1-3H3,(H,16,18)
InChIKeyIQWOHAICLFOYFP-UHFFFAOYSA-N
XLogP2.41
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromo-3,5-dimethylanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 107574599
3-(3,5-dichloroanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61096638
5,6-dimethyl-3-(quinolin-3-ylamino)pyridazine-4-carbonitrile
CID 62783443
5,6-dimethyl-3-(naphthalen-2-ylamino)pyridazine-4-carbonitrile
CID 60731996
5,6-dimethyl-3-[4-(trifluoromethyl)anilino]pyridazine-4-carbonitrile
CID 61096636
3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 31535423
2-bromo-5-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]benzoic acid
CID 115296144
5,6-dimethyl-3-(2,4,5-trifluoroanilino)pyridazine-4-carbonitrile
CID 62815401
5,6-dimethyl-3-(2,3,5,6-tetrafluoroanilino)pyridazine-4-carbonitrile
CID 107644815
3-(3-fluoro-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 133361981
3-(4-bromo-2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61096439
3-(4-fluoro-2-methylanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61095850

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[(5-methyl-3-pyridinyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[(5-methyl-3-pyridinyl)amino]pyridazine-4-carbonitrile (CID 107585528) is 5,6-dimethyl-3-[(5-methyl-3-pyridinyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[(5-methyl-3-pyridinyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[(5-methyl-3-pyridinyl)amino]pyridazine-4-carbonitrile is Cc1cncc(Nc2nnc(C)c(C)c2C#N)c1.
What is the InChIKey of 5,6-dimethyl-3-[(5-methyl-3-pyridinyl)amino]pyridazine-4-carbonitrile?
The InChIKey is IQWOHAICLFOYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-8-4-11(7-15-6-8)16-13-12(5-14)9(2)10(3)17-18-13/h4,6-7H,1-3H3,(H,16,18).
What are the key properties of 5,6-dimethyl-3-[(5-methyl-3-pyridinyl)amino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[(5-methyl-3-pyridinyl)amino]pyridazine-4-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(5-methyl-3-pyridinyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 107585528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).