ethane;(5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine

C12H19N3 — CID 143253469

IUPACethane;(5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine
SMILESCC.CC/C=C\C=C1\C=NN=C\C1=N/C
InChIInChI=1S/C10H13N3.C2H6/c1-3-4-5-6-9-7-12-13-8-10(9)11-2;1-2/h4-8H,3H2,1-2H3;1-2H3/b5-4-,9-6-,11-10+;
InChIKeyODKKYPLRIMJXFD-IQYKHHJXSA-N
MW205.30 g/mol
LogP3.05
Rot. Bonds2

About ethane;(5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine

ethane;(5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine (PubChem CID 143253469) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is ethane;(5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine.

Molecular Properties

Compound Nameethane;(5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine
PubChem CID143253469
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Nameethane;(5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine
SMILESCC.CC/C=C\C=C1\C=NN=C\C1=N/C
InChIInChI=1S/C10H13N3.C2H6/c1-3-4-5-6-9-7-12-13-8-10(9)11-2;1-2/h4-8H,3H2,1-2H3;1-2H3/b5-4-,9-6-,11-10+;
InChIKeyODKKYPLRIMJXFD-IQYKHHJXSA-N
XLogP3.05
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine?
The IUPAC name of ethane;(5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine (CID 143253469) is ethane;(5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine.
What is the SMILES notation for ethane;(5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine?
The canonical SMILES for ethane;(5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine is CC.CC/C=C\C=C1\C=NN=C\C1=N/C.
What is the InChIKey of ethane;(5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine?
The InChIKey is ODKKYPLRIMJXFD-IQYKHHJXSA-N. The full InChI is InChI=1S/C10H13N3.C2H6/c1-3-4-5-6-9-7-12-13-8-10(9)11-2;1-2/h4-8H,3H2,1-2H3;1-2H3/b5-4-,9-6-,11-10+;.
What are the key properties of ethane;(5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine?
ethane;(5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine has a molecular weight of 205.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine is sourced from PubChem (CID 143253469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).