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

C20H31N5 — CID 166548845

IUPAC(4E,5E)-4-[(Z)-2-(4-cyclopropylpiperazin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine
SMILESC/C=c1/c(C)nnc(NC)/c1=C/C(=C/CC)N1CCN(C2CC2)CC1
InChIInChI=1S/C20H31N5/c1-5-7-17(25-12-10-24(11-13-25)16-8-9-16)14-19-18(6-2)15(3)22-23-20(19)21-4/h6-7,14,16H,5,8-13H2,1-4H3,(H,21,23)/b17-7-,18-6-,19-14+
InChIKeyOZYCWBYZHHVBFX-OOUBBFDQSA-N
MW341.50 g/mol
LogP1.48
Rot. Bonds5

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

(4E,5E)-4-[(Z)-2-(4-cyclopropylpiperazin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine (PubChem CID 166548845) has the molecular formula C20H31N5 and a molecular weight of 341.50 g/mol. Its IUPAC name is (4E,5E)-4-[(Z)-2-(4-cyclopropylpiperazin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name(4E,5E)-4-[(Z)-2-(4-cyclopropylpiperazin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine
PubChem CID166548845
Molecular FormulaC20H31N5
Molecular Weight341.50 g/mol
Exact Mass341.26
IUPAC Name(4E,5E)-4-[(Z)-2-(4-cyclopropylpiperazin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine
SMILESC/C=c1/c(C)nnc(NC)/c1=C/C(=C/CC)N1CCN(C2CC2)CC1
InChIInChI=1S/C20H31N5/c1-5-7-17(25-12-10-24(11-13-25)16-8-9-16)14-19-18(6-2)15(3)22-23-20(19)21-4/h6-7,14,16H,5,8-13H2,1-4H3,(H,21,23)/b17-7-,18-6-,19-14+
InChIKeyOZYCWBYZHHVBFX-OOUBBFDQSA-N
XLogP1.48
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4E,5E)-5-ethylidene-4-[2-[4-(3-fluoropropyl)piperazin-1-yl]prop-2-enylidene]-N,6-dimethylpyridazin-3-amine
CID 166548511
(4E,5E)-4-[2-(3-aminopyrrolidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine
CID 166548589
(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
N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-4-amine
CID 166548829
(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
2-N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]butane-1,2-diamine
CID 167047790
N-cyclopropyl-1-[(6Z)-5-imino-6-(2-iminoethylidene)-4-methylcyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 172305394

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-[(Z)-2-(4-cyclopropylpiperazin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine?
The IUPAC name of (4E,5E)-4-[(Z)-2-(4-cyclopropylpiperazin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine (CID 166548845) is (4E,5E)-4-[(Z)-2-(4-cyclopropylpiperazin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine.
What is the SMILES notation for (4E,5E)-4-[(Z)-2-(4-cyclopropylpiperazin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine?
The canonical SMILES for (4E,5E)-4-[(Z)-2-(4-cyclopropylpiperazin-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)N1CCN(C2CC2)CC1.
What is the InChIKey of (4E,5E)-4-[(Z)-2-(4-cyclopropylpiperazin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine?
The InChIKey is OZYCWBYZHHVBFX-OOUBBFDQSA-N. The full InChI is InChI=1S/C20H31N5/c1-5-7-17(25-12-10-24(11-13-25)16-8-9-16)14-19-18(6-2)15(3)22-23-20(19)21-4/h6-7,14,16H,5,8-13H2,1-4H3,(H,21,23)/b17-7-,18-6-,19-14+.
What are the key properties of (4E,5E)-4-[(Z)-2-(4-cyclopropylpiperazin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine?
(4E,5E)-4-[(Z)-2-(4-cyclopropylpiperazin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine has a molecular weight of 341.50 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-[(Z)-2-(4-cyclopropylpiperazin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine is sourced from PubChem (CID 166548845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).