(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

C18H27N5 — CID 166548490

IUPAC(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
SMILESC=C(/C=c1/c(NC)nnc(C)/c1=C/C)N1CCC2(CN(C)C2)C1
InChIInChI=1S/C18H27N5/c1-6-15-14(3)20-21-17(19-4)16(15)9-13(2)23-8-7-18(12-23)10-22(5)11-18/h6,9H,2,7-8,10-12H2,1,3-5H3,(H,19,21)/b15-6-,16-9+
InChIKeyWOSBZWLDUSWHCN-ZHPFWVPGSA-N
MW313.45 g/mol
LogP0.56
Rot. Bonds3

About (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

(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 (PubChem CID 166548490) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID166548490
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name(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
SMILESC=C(/C=c1/c(NC)nnc(C)/c1=C/C)N1CCC2(CN(C)C2)C1
InChIInChI=1S/C18H27N5/c1-6-15-14(3)20-21-17(19-4)16(15)9-13(2)23-8-7-18(12-23)10-22(5)11-18/h6,9H,2,7-8,10-12H2,1,3-5H3,(H,19,21)/b15-6-,16-9+
InChIKeyWOSBZWLDUSWHCN-ZHPFWVPGSA-N
XLogP0.56
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C(/C=c1/c(NC)nnc(C)/c1=C/C)N1CCC2(CN(C)C2)C1.
What is the InChIKey of (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?
The InChIKey is WOSBZWLDUSWHCN-ZHPFWVPGSA-N. The full InChI is InChI=1S/C18H27N5/c1-6-15-14(3)20-21-17(19-4)16(15)9-13(2)23-8-7-18(12-23)10-22(5)11-18/h6,9H,2,7-8,10-12H2,1,3-5H3,(H,19,21)/b15-6-,16-9+.
What are the key properties of (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?
(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 has a molecular weight of 313.45 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 166548490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).