3-cyclopropyl-1-[(E)-2-methylbut-1-enyl]-6-methylidenepyridazine

C13H18N2 — CID 175616049

IUPAC3-cyclopropyl-1-[(E)-2-methylbut-1-enyl]-6-methylidenepyridazine
SMILESC=C1C=CC(C2CC2)=NN1/C=C(\C)CC
InChIInChI=1S/C13H18N2/c1-4-10(2)9-15-11(3)5-8-13(14-15)12-6-7-12/h5,8-9,12H,3-4,6-7H2,1-2H3/b10-9+
InChIKeyFICDRXHWROECHJ-MDZDMXLPSA-N
MW202.30 g/mol
LogP3.45
Rot. Bonds3

About 3-cyclopropyl-1-[(E)-2-methylbut-1-enyl]-6-methylidenepyridazine

3-cyclopropyl-1-[(E)-2-methylbut-1-enyl]-6-methylidenepyridazine (PubChem CID 175616049) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(E)-2-methylbut-1-enyl]-6-methylidenepyridazine.

Molecular Properties

Compound Name3-cyclopropyl-1-[(E)-2-methylbut-1-enyl]-6-methylidenepyridazine
PubChem CID175616049
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3-cyclopropyl-1-[(E)-2-methylbut-1-enyl]-6-methylidenepyridazine
SMILESC=C1C=CC(C2CC2)=NN1/C=C(\C)CC
InChIInChI=1S/C13H18N2/c1-4-10(2)9-15-11(3)5-8-13(14-15)12-6-7-12/h5,8-9,12H,3-4,6-7H2,1-2H3/b10-9+
InChIKeyFICDRXHWROECHJ-MDZDMXLPSA-N
XLogP3.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(E)-2-methylbut-1-enyl]-6-methylidenepyridazine?
The IUPAC name of 3-cyclopropyl-1-[(E)-2-methylbut-1-enyl]-6-methylidenepyridazine (CID 175616049) is 3-cyclopropyl-1-[(E)-2-methylbut-1-enyl]-6-methylidenepyridazine.
What is the SMILES notation for 3-cyclopropyl-1-[(E)-2-methylbut-1-enyl]-6-methylidenepyridazine?
The canonical SMILES for 3-cyclopropyl-1-[(E)-2-methylbut-1-enyl]-6-methylidenepyridazine is C=C1C=CC(C2CC2)=NN1/C=C(\C)CC.
What is the InChIKey of 3-cyclopropyl-1-[(E)-2-methylbut-1-enyl]-6-methylidenepyridazine?
The InChIKey is FICDRXHWROECHJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-10(2)9-15-11(3)5-8-13(14-15)12-6-7-12/h5,8-9,12H,3-4,6-7H2,1-2H3/b10-9+.
What are the key properties of 3-cyclopropyl-1-[(E)-2-methylbut-1-enyl]-6-methylidenepyridazine?
3-cyclopropyl-1-[(E)-2-methylbut-1-enyl]-6-methylidenepyridazine has a molecular weight of 202.30 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(E)-2-methylbut-1-enyl]-6-methylidenepyridazine is sourced from PubChem (CID 175616049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).