(4E,5E)-5-ethylidene-4-[2-[4-(3-fluoropropyl)piperazin-1-yl]prop-2-enylidene]-N,6-dimethylpyridazin-3-amine

C18H28FN5 — CID 166548511

IUPAC(4E,5E)-5-ethylidene-4-[2-[4-(3-fluoropropyl)piperazin-1-yl]prop-2-enylidene]-N,6-dimethylpyridazin-3-amine
SMILESC=C(/C=c1/c(NC)nnc(C)/c1=C/C)N1CCN(CCCF)CC1
InChIInChI=1S/C18H28FN5/c1-5-16-15(3)21-22-18(20-4)17(16)13-14(2)24-11-9-23(10-12-24)8-6-7-19/h5,13H,2,6-12H2,1,3-4H3,(H,20,22)/b16-5-,17-13+
InChIKeyUWQUCXDNJXKFDT-OVGNTQMOSA-N
MW333.46 g/mol
LogP0.90
Rot. Bonds6

About (4E,5E)-5-ethylidene-4-[2-[4-(3-fluoropropyl)piperazin-1-yl]prop-2-enylidene]-N,6-dimethylpyridazin-3-amine

(4E,5E)-5-ethylidene-4-[2-[4-(3-fluoropropyl)piperazin-1-yl]prop-2-enylidene]-N,6-dimethylpyridazin-3-amine (PubChem CID 166548511) has the molecular formula C18H28FN5 and a molecular weight of 333.46 g/mol. Its IUPAC name is (4E,5E)-5-ethylidene-4-[2-[4-(3-fluoropropyl)piperazin-1-yl]prop-2-enylidene]-N,6-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name(4E,5E)-5-ethylidene-4-[2-[4-(3-fluoropropyl)piperazin-1-yl]prop-2-enylidene]-N,6-dimethylpyridazin-3-amine
PubChem CID166548511
Molecular FormulaC18H28FN5
Molecular Weight333.46 g/mol
Exact Mass333.23
IUPAC Name(4E,5E)-5-ethylidene-4-[2-[4-(3-fluoropropyl)piperazin-1-yl]prop-2-enylidene]-N,6-dimethylpyridazin-3-amine
SMILESC=C(/C=c1/c(NC)nnc(C)/c1=C/C)N1CCN(CCCF)CC1
InChIInChI=1S/C18H28FN5/c1-5-16-15(3)21-22-18(20-4)17(16)13-14(2)24-11-9-23(10-12-24)8-6-7-19/h5,13H,2,6-12H2,1,3-4H3,(H,20,22)/b16-5-,17-13+
InChIKeyUWQUCXDNJXKFDT-OVGNTQMOSA-N
XLogP0.90
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-(4-propan-2-ylpiperazin-1-yl)pent-2-enylidene]pyridazin-3-amine
CID 166548710
(3R)-N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-3-amine
CID 166548813
(4E,5E)-4-[(Z)-2-(4-cyclopropylpiperazin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine
CID 166548845
(4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-[4-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]piperazin-1-yl]pent-2-enylidene]pyridazin-3-amine
CID 166548879
(4E,5E)-4-[2-(4,4-dimethylpiperidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine
CID 166548919
(2E)-N-[(E)-but-1-enyl]-N'-methyl-3-methylidene-2-(1-piperazin-1-ylethylidene)pentanimidamide
CID 168185604

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-ethylidene-4-[2-[4-(3-fluoropropyl)piperazin-1-yl]prop-2-enylidene]-N,6-dimethylpyridazin-3-amine?
The IUPAC name of (4E,5E)-5-ethylidene-4-[2-[4-(3-fluoropropyl)piperazin-1-yl]prop-2-enylidene]-N,6-dimethylpyridazin-3-amine (CID 166548511) is (4E,5E)-5-ethylidene-4-[2-[4-(3-fluoropropyl)piperazin-1-yl]prop-2-enylidene]-N,6-dimethylpyridazin-3-amine.
What is the SMILES notation for (4E,5E)-5-ethylidene-4-[2-[4-(3-fluoropropyl)piperazin-1-yl]prop-2-enylidene]-N,6-dimethylpyridazin-3-amine?
The canonical SMILES for (4E,5E)-5-ethylidene-4-[2-[4-(3-fluoropropyl)piperazin-1-yl]prop-2-enylidene]-N,6-dimethylpyridazin-3-amine is C=C(/C=c1/c(NC)nnc(C)/c1=C/C)N1CCN(CCCF)CC1.
What is the InChIKey of (4E,5E)-5-ethylidene-4-[2-[4-(3-fluoropropyl)piperazin-1-yl]prop-2-enylidene]-N,6-dimethylpyridazin-3-amine?
The InChIKey is UWQUCXDNJXKFDT-OVGNTQMOSA-N. The full InChI is InChI=1S/C18H28FN5/c1-5-16-15(3)21-22-18(20-4)17(16)13-14(2)24-11-9-23(10-12-24)8-6-7-19/h5,13H,2,6-12H2,1,3-4H3,(H,20,22)/b16-5-,17-13+.
What are the key properties of (4E,5E)-5-ethylidene-4-[2-[4-(3-fluoropropyl)piperazin-1-yl]prop-2-enylidene]-N,6-dimethylpyridazin-3-amine?
(4E,5E)-5-ethylidene-4-[2-[4-(3-fluoropropyl)piperazin-1-yl]prop-2-enylidene]-N,6-dimethylpyridazin-3-amine has a molecular weight of 333.46 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-ethylidene-4-[2-[4-(3-fluoropropyl)piperazin-1-yl]prop-2-enylidene]-N,6-dimethylpyridazin-3-amine is sourced from PubChem (CID 166548511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).