(6Z)-6-butylidene-1-(3-methylbut-1-en-2-yl)pyridazine

C13H20N2 — CID 170179500

IUPAC(6Z)-6-butylidene-1-(3-methylbut-1-en-2-yl)pyridazine
SMILESC=C(C(C)C)N1N=CC=C/C1=C/CCC
InChIInChI=1S/C13H20N2/c1-5-6-8-13-9-7-10-14-15(13)12(4)11(2)3/h7-11H,4-6H2,1-3H3/b13-8-
InChIKeyBLXXJXVUPIAHCK-JYRVWZFOSA-N
MW204.32 g/mol
LogP3.70
Rot. Bonds4

About (6Z)-6-butylidene-1-(3-methylbut-1-en-2-yl)pyridazine

(6Z)-6-butylidene-1-(3-methylbut-1-en-2-yl)pyridazine (PubChem CID 170179500) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (6Z)-6-butylidene-1-(3-methylbut-1-en-2-yl)pyridazine.

Molecular Properties

Compound Name(6Z)-6-butylidene-1-(3-methylbut-1-en-2-yl)pyridazine
PubChem CID170179500
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(6Z)-6-butylidene-1-(3-methylbut-1-en-2-yl)pyridazine
SMILESC=C(C(C)C)N1N=CC=C/C1=C/CCC
InChIInChI=1S/C13H20N2/c1-5-6-8-13-9-7-10-14-15(13)12(4)11(2)3/h7-11H,4-6H2,1-3H3/b13-8-
InChIKeyBLXXJXVUPIAHCK-JYRVWZFOSA-N
XLogP3.70
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-butylidene-1-(3-methylbut-1-en-2-yl)pyridazine?
The IUPAC name of (6Z)-6-butylidene-1-(3-methylbut-1-en-2-yl)pyridazine (CID 170179500) is (6Z)-6-butylidene-1-(3-methylbut-1-en-2-yl)pyridazine.
What is the SMILES notation for (6Z)-6-butylidene-1-(3-methylbut-1-en-2-yl)pyridazine?
The canonical SMILES for (6Z)-6-butylidene-1-(3-methylbut-1-en-2-yl)pyridazine is C=C(C(C)C)N1N=CC=C/C1=C/CCC.
What is the InChIKey of (6Z)-6-butylidene-1-(3-methylbut-1-en-2-yl)pyridazine?
The InChIKey is BLXXJXVUPIAHCK-JYRVWZFOSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-6-8-13-9-7-10-14-15(13)12(4)11(2)3/h7-11H,4-6H2,1-3H3/b13-8-.
What are the key properties of (6Z)-6-butylidene-1-(3-methylbut-1-en-2-yl)pyridazine?
(6Z)-6-butylidene-1-(3-methylbut-1-en-2-yl)pyridazine has a molecular weight of 204.32 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-butylidene-1-(3-methylbut-1-en-2-yl)pyridazine is sourced from PubChem (CID 170179500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).