3-(3,5-dichloroanilino)-5,6-dimethylpyridazine-4-carbonitrile

C13H10Cl2N4 — CID 61096638

IUPAC3-(3,5-dichloroanilino)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(Nc2cc(Cl)cc(Cl)c2)c(C#N)c1C
InChIInChI=1S/C13H10Cl2N4/c1-7-8(2)18-19-13(12(7)6-16)17-11-4-9(14)3-10(15)5-11/h3-5H,1-2H3,(H,17,19)
InChIKeyFBJIJTAVXVUTIT-UHFFFAOYSA-N
MW293.16 g/mol
LogP4.02
Rot. Bonds2

About 3-(3,5-dichloroanilino)-5,6-dimethylpyridazine-4-carbonitrile

3-(3,5-dichloroanilino)-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 61096638) has the molecular formula C13H10Cl2N4 and a molecular weight of 293.16 g/mol. Its IUPAC name is 3-(3,5-dichloroanilino)-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3,5-dichloroanilino)-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID61096638
Molecular FormulaC13H10Cl2N4
Molecular Weight293.16 g/mol
Exact Mass292.03
IUPAC Name3-(3,5-dichloroanilino)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(Nc2cc(Cl)cc(Cl)c2)c(C#N)c1C
InChIInChI=1S/C13H10Cl2N4/c1-7-8(2)18-19-13(12(7)6-16)17-11-4-9(14)3-10(15)5-11/h3-5H,1-2H3,(H,17,19)
InChIKeyFBJIJTAVXVUTIT-UHFFFAOYSA-N
XLogP4.02
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromo-3,5-dimethylanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 107574599
5,6-dimethyl-3-[(5-methyl-3-pyridinyl)amino]pyridazine-4-carbonitrile
CID 107585528
5,6-dimethyl-3-(naphthalen-2-ylamino)pyridazine-4-carbonitrile
CID 60731996
3-(3-fluoro-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 133361981
2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 784964
5,6-dimethyl-3-[4-(trifluoromethyl)anilino]pyridazine-4-carbonitrile
CID 61096636
3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 31535423
5,6-dimethyl-3-(2,3,5,6-tetrafluoroanilino)pyridazine-4-carbonitrile
CID 107644815
5,6-dimethyl-3-(2,4,5-trifluoroanilino)pyridazine-4-carbonitrile
CID 62815401
5,6-dimethyl-3-[3-(3,3,3-trifluoropropyl)anilino]pyridazine-4-carbonitrile
CID 133347707
5,6-dimethyl-3-(quinolin-3-ylamino)pyridazine-4-carbonitrile
CID 62783443
3-(3,5-dichlorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 31535943

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloroanilino)-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(3,5-dichloroanilino)-5,6-dimethylpyridazine-4-carbonitrile (CID 61096638) is 3-(3,5-dichloroanilino)-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3,5-dichloroanilino)-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(3,5-dichloroanilino)-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(Nc2cc(Cl)cc(Cl)c2)c(C#N)c1C.
What is the InChIKey of 3-(3,5-dichloroanilino)-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is FBJIJTAVXVUTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4/c1-7-8(2)18-19-13(12(7)6-16)17-11-4-9(14)3-10(15)5-11/h3-5H,1-2H3,(H,17,19).
What are the key properties of 3-(3,5-dichloroanilino)-5,6-dimethylpyridazine-4-carbonitrile?
3-(3,5-dichloroanilino)-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 293.16 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloroanilino)-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 61096638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).