(4E,5E)-5-ethylidene-6-methyl-4-[2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)prop-2-enylidene]pyridazin-3-amine

C17H25N5 — CID 166548463

IUPAC(4E,5E)-5-ethylidene-6-methyl-4-[2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)prop-2-enylidene]pyridazin-3-amine
SMILESC=C(/C=c1/c(N)nnc(C)/c1=C/C)N1CCC2(CN(C)C2)C1
InChIInChI=1S/C17H25N5/c1-5-14-13(3)19-20-16(18)15(14)8-12(2)22-7-6-17(11-22)9-21(4)10-17/h5,8H,2,6-7,9-11H2,1,3-4H3,(H2,18,20)/b14-5-,15-8+
InChIKeyAHDKASWQPWLXPH-VUJZCDAASA-N
MW299.42 g/mol
LogP0.10
Rot. Bonds2

About (4E,5E)-5-ethylidene-6-methyl-4-[2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)prop-2-enylidene]pyridazin-3-amine

(4E,5E)-5-ethylidene-6-methyl-4-[2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)prop-2-enylidene]pyridazin-3-amine (PubChem CID 166548463) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is (4E,5E)-5-ethylidene-6-methyl-4-[2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)prop-2-enylidene]pyridazin-3-amine.

Molecular Properties

Compound Name(4E,5E)-5-ethylidene-6-methyl-4-[2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)prop-2-enylidene]pyridazin-3-amine
PubChem CID166548463
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name(4E,5E)-5-ethylidene-6-methyl-4-[2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)prop-2-enylidene]pyridazin-3-amine
SMILESC=C(/C=c1/c(N)nnc(C)/c1=C/C)N1CCC2(CN(C)C2)C1
InChIInChI=1S/C17H25N5/c1-5-14-13(3)19-20-16(18)15(14)8-12(2)22-7-6-17(11-22)9-21(4)10-17/h5,8H,2,6-7,9-11H2,1,3-4H3,(H2,18,20)/b14-5-,15-8+
InChIKeyAHDKASWQPWLXPH-VUJZCDAASA-N
XLogP0.10
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4E,5E)-5-ethylidene-6-methyl-4-[2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)prop-2-enylidene]pyridazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-ethylidene-6-methyl-4-[2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)prop-2-enylidene]pyridazin-3-amine?
The IUPAC name of (4E,5E)-5-ethylidene-6-methyl-4-[2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)prop-2-enylidene]pyridazin-3-amine (CID 166548463) is (4E,5E)-5-ethylidene-6-methyl-4-[2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)prop-2-enylidene]pyridazin-3-amine.
What is the SMILES notation for (4E,5E)-5-ethylidene-6-methyl-4-[2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)prop-2-enylidene]pyridazin-3-amine?
The canonical SMILES for (4E,5E)-5-ethylidene-6-methyl-4-[2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)prop-2-enylidene]pyridazin-3-amine is C=C(/C=c1/c(N)nnc(C)/c1=C/C)N1CCC2(CN(C)C2)C1.
What is the InChIKey of (4E,5E)-5-ethylidene-6-methyl-4-[2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)prop-2-enylidene]pyridazin-3-amine?
The InChIKey is AHDKASWQPWLXPH-VUJZCDAASA-N. The full InChI is InChI=1S/C17H25N5/c1-5-14-13(3)19-20-16(18)15(14)8-12(2)22-7-6-17(11-22)9-21(4)10-17/h5,8H,2,6-7,9-11H2,1,3-4H3,(H2,18,20)/b14-5-,15-8+.
What are the key properties of (4E,5E)-5-ethylidene-6-methyl-4-[2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)prop-2-enylidene]pyridazin-3-amine?
(4E,5E)-5-ethylidene-6-methyl-4-[2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)prop-2-enylidene]pyridazin-3-amine has a molecular weight of 299.42 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-ethylidene-6-methyl-4-[2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)prop-2-enylidene]pyridazin-3-amine is sourced from PubChem (CID 166548463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).