3-[2-(4-chlorophenyl)ethylamino]pyridazine-4-carbonitrile

C13H11ClN4 — CID 80510280

IUPAC3-[2-(4-chlorophenyl)ethylamino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN4/c14-12-3-1-10(2-4-12)5-7-16-13-11(9-15)6-8-17-18-13/h1-4,6,8H,5,7H2,(H,16,18)
InChIKeyJZGBOVHRUCOIAP-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.66
Rot. Bonds4

About 3-[2-(4-chlorophenyl)ethylamino]pyridazine-4-carbonitrile

3-[2-(4-chlorophenyl)ethylamino]pyridazine-4-carbonitrile (PubChem CID 80510280) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)ethylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)ethylamino]pyridazine-4-carbonitrile
PubChem CID80510280
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name3-[2-(4-chlorophenyl)ethylamino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN4/c14-12-3-1-10(2-4-12)5-7-16-13-11(9-15)6-8-17-18-13/h1-4,6,8H,5,7H2,(H,16,18)
InChIKeyJZGBOVHRUCOIAP-UHFFFAOYSA-N
XLogP2.66
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)ethylamino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[2-(4-chlorophenyl)ethylamino]pyridazine-4-carbonitrile (CID 80510280) is 3-[2-(4-chlorophenyl)ethylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[2-(4-chlorophenyl)ethylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[2-(4-chlorophenyl)ethylamino]pyridazine-4-carbonitrile is N#Cc1ccnnc1NCCc1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)ethylamino]pyridazine-4-carbonitrile?
The InChIKey is JZGBOVHRUCOIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c14-12-3-1-10(2-4-12)5-7-16-13-11(9-15)6-8-17-18-13/h1-4,6,8H,5,7H2,(H,16,18).
What are the key properties of 3-[2-(4-chlorophenyl)ethylamino]pyridazine-4-carbonitrile?
3-[2-(4-chlorophenyl)ethylamino]pyridazine-4-carbonitrile has a molecular weight of 258.71 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)ethylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80510280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).