(4E,5E)-5-ethylidene-N,6-dimethyl-4-(2-pyrrolidin-1-ylprop-2-enylidene)pyridazin-3-amine

C15H22N4 — CID 166548592

IUPAC(4E,5E)-5-ethylidene-N,6-dimethyl-4-(2-pyrrolidin-1-ylprop-2-enylidene)pyridazin-3-amine
SMILESC=C(/C=c1/c(NC)nnc(C)/c1=C/C)N1CCCC1
InChIInChI=1S/C15H22N4/c1-5-13-12(3)17-18-15(16-4)14(13)10-11(2)19-8-6-7-9-19/h5,10H,2,6-9H2,1,3-4H3,(H,16,18)/b13-5-,14-10+
InChIKeyXOUTTWITCRIBOM-IRBKKTEESA-N
MW258.37 g/mol
LogP1.02
Rot. Bonds3

About (4E,5E)-5-ethylidene-N,6-dimethyl-4-(2-pyrrolidin-1-ylprop-2-enylidene)pyridazin-3-amine

(4E,5E)-5-ethylidene-N,6-dimethyl-4-(2-pyrrolidin-1-ylprop-2-enylidene)pyridazin-3-amine (PubChem CID 166548592) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is (4E,5E)-5-ethylidene-N,6-dimethyl-4-(2-pyrrolidin-1-ylprop-2-enylidene)pyridazin-3-amine.

Molecular Properties

Compound Name(4E,5E)-5-ethylidene-N,6-dimethyl-4-(2-pyrrolidin-1-ylprop-2-enylidene)pyridazin-3-amine
PubChem CID166548592
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name(4E,5E)-5-ethylidene-N,6-dimethyl-4-(2-pyrrolidin-1-ylprop-2-enylidene)pyridazin-3-amine
SMILESC=C(/C=c1/c(NC)nnc(C)/c1=C/C)N1CCCC1
InChIInChI=1S/C15H22N4/c1-5-13-12(3)17-18-15(16-4)14(13)10-11(2)19-8-6-7-9-19/h5,10H,2,6-9H2,1,3-4H3,(H,16,18)/b13-5-,14-10+
InChIKeyXOUTTWITCRIBOM-IRBKKTEESA-N
XLogP1.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-ethylidene-N,6-dimethyl-4-(2-pyrrolidin-1-ylprop-2-enylidene)pyridazin-3-amine?
The IUPAC name of (4E,5E)-5-ethylidene-N,6-dimethyl-4-(2-pyrrolidin-1-ylprop-2-enylidene)pyridazin-3-amine (CID 166548592) is (4E,5E)-5-ethylidene-N,6-dimethyl-4-(2-pyrrolidin-1-ylprop-2-enylidene)pyridazin-3-amine.
What is the SMILES notation for (4E,5E)-5-ethylidene-N,6-dimethyl-4-(2-pyrrolidin-1-ylprop-2-enylidene)pyridazin-3-amine?
The canonical SMILES for (4E,5E)-5-ethylidene-N,6-dimethyl-4-(2-pyrrolidin-1-ylprop-2-enylidene)pyridazin-3-amine is C=C(/C=c1/c(NC)nnc(C)/c1=C/C)N1CCCC1.
What is the InChIKey of (4E,5E)-5-ethylidene-N,6-dimethyl-4-(2-pyrrolidin-1-ylprop-2-enylidene)pyridazin-3-amine?
The InChIKey is XOUTTWITCRIBOM-IRBKKTEESA-N. The full InChI is InChI=1S/C15H22N4/c1-5-13-12(3)17-18-15(16-4)14(13)10-11(2)19-8-6-7-9-19/h5,10H,2,6-9H2,1,3-4H3,(H,16,18)/b13-5-,14-10+.
What are the key properties of (4E,5E)-5-ethylidene-N,6-dimethyl-4-(2-pyrrolidin-1-ylprop-2-enylidene)pyridazin-3-amine?
(4E,5E)-5-ethylidene-N,6-dimethyl-4-(2-pyrrolidin-1-ylprop-2-enylidene)pyridazin-3-amine has a molecular weight of 258.37 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-ethylidene-N,6-dimethyl-4-(2-pyrrolidin-1-ylprop-2-enylidene)pyridazin-3-amine is sourced from PubChem (CID 166548592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).