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

C15H23N5 — CID 166548589

IUPAC(4E,5E)-4-[2-(3-aminopyrrolidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine
SMILESC=C(/C=c1/c(NC)nnc(C)/c1=C/C)N1CCC(N)C1
InChIInChI=1S/C15H23N5/c1-5-13-11(3)18-19-15(17-4)14(13)8-10(2)20-7-6-12(16)9-20/h5,8,12H,2,6-7,9,16H2,1,3-4H3,(H,17,19)/b13-5-,14-8+
InChIKeyYZPSRNUIRAXMER-FDIYKHLQSA-N
MW273.38 g/mol
LogP-0.05
Rot. Bonds3

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

(4E,5E)-4-[2-(3-aminopyrrolidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine (PubChem CID 166548589) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is (4E,5E)-4-[2-(3-aminopyrrolidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name(4E,5E)-4-[2-(3-aminopyrrolidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine
PubChem CID166548589
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name(4E,5E)-4-[2-(3-aminopyrrolidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine
SMILESC=C(/C=c1/c(NC)nnc(C)/c1=C/C)N1CCC(N)C1
InChIInChI=1S/C15H23N5/c1-5-13-11(3)18-19-15(17-4)14(13)8-10(2)20-7-6-12(16)9-20/h5,8,12H,2,6-7,9,16H2,1,3-4H3,(H,17,19)/b13-5-,14-8+
InChIKeyYZPSRNUIRAXMER-FDIYKHLQSA-N
XLogP-0.05
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1,1-Dimethyl-2-(1-methylpyrrolidin-2-yl)imidazol-1-ium-4-yl]-1,2,3,6-tetrahydropyridine
CID 91197302
1-(6-ethyl-1,5-dihydropyrrolo[2,3-b]azepin-4-yl)-N-methylpyrrolidin-3-amine
CID 123677816
(4E,5E)-5-ethylidene-N,6-dimethyl-4-[2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)prop-2-enylidene]pyridazin-3-amine
CID 166548490
(4E,5E)-5-ethylidene-N,6-dimethyl-4-(2-pyrrolidin-1-ylprop-2-enylidene)pyridazin-3-amine
CID 166548592
(4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-(4-propan-2-ylpiperazin-1-yl)pent-2-enylidene]pyridazin-3-amine
CID 166548710
(4E,5E)-4-[(Z)-2-(4-cyclopropylpiperazin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine
CID 166548845
(4Z,5Z)-4,5-bis(1-aminoethylidene)-6-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine
CID 142851786
N'-amino-3-[2-[1-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]ethenyl]pyrrolidin-1-yl]but-3-enimidamide
CID 165139674

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-[2-(3-aminopyrrolidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine?
The IUPAC name of (4E,5E)-4-[2-(3-aminopyrrolidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine (CID 166548589) is (4E,5E)-4-[2-(3-aminopyrrolidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine.
What is the SMILES notation for (4E,5E)-4-[2-(3-aminopyrrolidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine?
The canonical SMILES for (4E,5E)-4-[2-(3-aminopyrrolidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine is C=C(/C=c1/c(NC)nnc(C)/c1=C/C)N1CCC(N)C1.
What is the InChIKey of (4E,5E)-4-[2-(3-aminopyrrolidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine?
The InChIKey is YZPSRNUIRAXMER-FDIYKHLQSA-N. The full InChI is InChI=1S/C15H23N5/c1-5-13-11(3)18-19-15(17-4)14(13)8-10(2)20-7-6-12(16)9-20/h5,8,12H,2,6-7,9,16H2,1,3-4H3,(H,17,19)/b13-5-,14-8+.
What are the key properties of (4E,5E)-4-[2-(3-aminopyrrolidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine?
(4E,5E)-4-[2-(3-aminopyrrolidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine has a molecular weight of 273.38 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-[2-(3-aminopyrrolidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine is sourced from PubChem (CID 166548589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).