5,6-dimethyl-3-(naphthalen-2-ylamino)pyridazine-4-carbonitrile

C17H14N4 — CID 60731996

IUPAC5,6-dimethyl-3-(naphthalen-2-ylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(Nc2ccc3ccccc3c2)c(C#N)c1C
InChIInChI=1S/C17H14N4/c1-11-12(2)20-21-17(16(11)10-18)19-15-8-7-13-5-3-4-6-14(13)9-15/h3-9H,1-2H3,(H,19,21)
InChIKeyUPVCWCDQANENTO-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.86
Rot. Bonds2

About 5,6-dimethyl-3-(naphthalen-2-ylamino)pyridazine-4-carbonitrile

5,6-dimethyl-3-(naphthalen-2-ylamino)pyridazine-4-carbonitrile (PubChem CID 60731996) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 5,6-dimethyl-3-(naphthalen-2-ylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(naphthalen-2-ylamino)pyridazine-4-carbonitrile
PubChem CID60731996
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name5,6-dimethyl-3-(naphthalen-2-ylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(Nc2ccc3ccccc3c2)c(C#N)c1C
InChIInChI=1S/C17H14N4/c1-11-12(2)20-21-17(16(11)10-18)19-15-8-7-13-5-3-4-6-14(13)9-15/h3-9H,1-2H3,(H,19,21)
InChIKeyUPVCWCDQANENTO-UHFFFAOYSA-N
XLogP3.86
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(naphthalen-2-ylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(naphthalen-2-ylamino)pyridazine-4-carbonitrile (CID 60731996) is 5,6-dimethyl-3-(naphthalen-2-ylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(naphthalen-2-ylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(naphthalen-2-ylamino)pyridazine-4-carbonitrile is Cc1nnc(Nc2ccc3ccccc3c2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-(naphthalen-2-ylamino)pyridazine-4-carbonitrile?
The InChIKey is UPVCWCDQANENTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-11-12(2)20-21-17(16(11)10-18)19-15-8-7-13-5-3-4-6-14(13)9-15/h3-9H,1-2H3,(H,19,21).
What are the key properties of 5,6-dimethyl-3-(naphthalen-2-ylamino)pyridazine-4-carbonitrile?
5,6-dimethyl-3-(naphthalen-2-ylamino)pyridazine-4-carbonitrile has a molecular weight of 274.33 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(naphthalen-2-ylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 60731996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).