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

C16H13N5 — CID 62783443

IUPAC5,6-dimethyl-3-(quinolin-3-ylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(Nc2cnc3ccccc3c2)c(C#N)c1C
InChIInChI=1S/C16H13N5/c1-10-11(2)20-21-16(14(10)8-17)19-13-7-12-5-3-4-6-15(12)18-9-13/h3-7,9H,1-2H3,(H,19,21)
InChIKeyDWYFKYQDQSOYDJ-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.26
Rot. Bonds2

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

5,6-dimethyl-3-(quinolin-3-ylamino)pyridazine-4-carbonitrile (PubChem CID 62783443) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5,6-dimethyl-3-(quinolin-3-ylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(quinolin-3-ylamino)pyridazine-4-carbonitrile
PubChem CID62783443
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC Name5,6-dimethyl-3-(quinolin-3-ylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(Nc2cnc3ccccc3c2)c(C#N)c1C
InChIInChI=1S/C16H13N5/c1-10-11(2)20-21-16(14(10)8-17)19-13-7-12-5-3-4-6-15(12)18-9-13/h3-7,9H,1-2H3,(H,19,21)
InChIKeyDWYFKYQDQSOYDJ-UHFFFAOYSA-N
XLogP3.26
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(quinolin-3-ylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(quinolin-3-ylamino)pyridazine-4-carbonitrile (CID 62783443) is 5,6-dimethyl-3-(quinolin-3-ylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(quinolin-3-ylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(quinolin-3-ylamino)pyridazine-4-carbonitrile is Cc1nnc(Nc2cnc3ccccc3c2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-(quinolin-3-ylamino)pyridazine-4-carbonitrile?
The InChIKey is DWYFKYQDQSOYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-10-11(2)20-21-16(14(10)8-17)19-13-7-12-5-3-4-6-15(12)18-9-13/h3-7,9H,1-2H3,(H,19,21).
What are the key properties of 5,6-dimethyl-3-(quinolin-3-ylamino)pyridazine-4-carbonitrile?
5,6-dimethyl-3-(quinolin-3-ylamino)pyridazine-4-carbonitrile has a molecular weight of 275.31 g/mol, XLogP of 3.26, 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-(quinolin-3-ylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 62783443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).