(4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine

C20H32N4 — CID 166548752

IUPAC(4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine
SMILESC/C=c1/c(C)nnc(NC)/c1=C/C(=C/CC)N1CCC1(CC)CC
InChIInChI=1S/C20H32N4/c1-7-11-16(24-13-12-20(24,9-3)10-4)14-18-17(8-2)15(5)22-23-19(18)21-6/h8,11,14H,7,9-10,12-13H2,1-6H3,(H,21,23)/b16-11-,17-8-,18-14+
InChIKeyJWFHFMXZXCSRLN-FMJKQQBKSA-N
MW328.50 g/mol
LogP2.97
Rot. Bonds6

About (4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine

(4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine (PubChem CID 166548752) has the molecular formula C20H32N4 and a molecular weight of 328.50 g/mol. Its IUPAC name is (4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name(4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine
PubChem CID166548752
Molecular FormulaC20H32N4
Molecular Weight328.50 g/mol
Exact Mass328.26
IUPAC Name(4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine
SMILESC/C=c1/c(C)nnc(NC)/c1=C/C(=C/CC)N1CCC1(CC)CC
InChIInChI=1S/C20H32N4/c1-7-11-16(24-13-12-20(24,9-3)10-4)14-18-17(8-2)15(5)22-23-19(18)21-6/h8,11,14H,7,9-10,12-13H2,1-6H3,(H,21,23)/b16-11-,17-8-,18-14+
InChIKeyJWFHFMXZXCSRLN-FMJKQQBKSA-N
XLogP2.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine?
The IUPAC name of (4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine (CID 166548752) is (4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine.
What is the SMILES notation for (4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine?
The canonical SMILES for (4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine is C/C=c1/c(C)nnc(NC)/c1=C/C(=C/CC)N1CCC1(CC)CC.
What is the InChIKey of (4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine?
The InChIKey is JWFHFMXZXCSRLN-FMJKQQBKSA-N. The full InChI is InChI=1S/C20H32N4/c1-7-11-16(24-13-12-20(24,9-3)10-4)14-18-17(8-2)15(5)22-23-19(18)21-6/h8,11,14H,7,9-10,12-13H2,1-6H3,(H,21,23)/b16-11-,17-8-,18-14+.
What are the key properties of (4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine?
(4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine has a molecular weight of 328.50 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine is sourced from PubChem (CID 166548752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).