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

C14H15N5 — CID 115377531

IUPAC3-[3-(dimethylamino)-4-methylanilino]pyridazine-4-carbonitrile
SMILESCc1ccc(Nc2nnccc2C#N)cc1N(C)C
InChIInChI=1S/C14H15N5/c1-10-4-5-12(8-13(10)19(2)3)17-14-11(9-15)6-7-16-18-14/h4-8H,1-3H3,(H,17,18)
InChIKeyVAYMWVVEEFFOHW-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.47
Rot. Bonds3

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

3-[3-(dimethylamino)-4-methylanilino]pyridazine-4-carbonitrile (PubChem CID 115377531) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-4-methylanilino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[3-(dimethylamino)-4-methylanilino]pyridazine-4-carbonitrile
PubChem CID115377531
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name3-[3-(dimethylamino)-4-methylanilino]pyridazine-4-carbonitrile
SMILESCc1ccc(Nc2nnccc2C#N)cc1N(C)C
InChIInChI=1S/C14H15N5/c1-10-4-5-12(8-13(10)19(2)3)17-14-11(9-15)6-7-16-18-14/h4-8H,1-3H3,(H,17,18)
InChIKeyVAYMWVVEEFFOHW-UHFFFAOYSA-N
XLogP2.47
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-4-methylanilino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[3-(dimethylamino)-4-methylanilino]pyridazine-4-carbonitrile (CID 115377531) is 3-[3-(dimethylamino)-4-methylanilino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[3-(dimethylamino)-4-methylanilino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[3-(dimethylamino)-4-methylanilino]pyridazine-4-carbonitrile is Cc1ccc(Nc2nnccc2C#N)cc1N(C)C.
What is the InChIKey of 3-[3-(dimethylamino)-4-methylanilino]pyridazine-4-carbonitrile?
The InChIKey is VAYMWVVEEFFOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-10-4-5-12(8-13(10)19(2)3)17-14-11(9-15)6-7-16-18-14/h4-8H,1-3H3,(H,17,18).
What are the key properties of 3-[3-(dimethylamino)-4-methylanilino]pyridazine-4-carbonitrile?
3-[3-(dimethylamino)-4-methylanilino]pyridazine-4-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-4-methylanilino]pyridazine-4-carbonitrile is sourced from PubChem (CID 115377531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).