(3E,4Z)-3-(3-methylbutylidene)-4-prop-2-enylidenepyridazine

C12H16N2 — CID 139378881

IUPAC(3E,4Z)-3-(3-methylbutylidene)-4-prop-2-enylidenepyridazine
SMILESC=C/C=c1/ccnn/c1=C/CC(C)C
InChIInChI=1S/C12H16N2/c1-4-5-11-8-9-13-14-12(11)7-6-10(2)3/h4-5,7-10H,1,6H2,2-3H3/b11-5-,12-7+
InChIKeyUBIFTBGLGGDVRZ-SSLOBORASA-N
MW188.27 g/mol
LogP1.27
Rot. Bonds3

About (3E,4Z)-3-(3-methylbutylidene)-4-prop-2-enylidenepyridazine

(3E,4Z)-3-(3-methylbutylidene)-4-prop-2-enylidenepyridazine (PubChem CID 139378881) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (3E,4Z)-3-(3-methylbutylidene)-4-prop-2-enylidenepyridazine.

Molecular Properties

Compound Name(3E,4Z)-3-(3-methylbutylidene)-4-prop-2-enylidenepyridazine
PubChem CID139378881
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(3E,4Z)-3-(3-methylbutylidene)-4-prop-2-enylidenepyridazine
SMILESC=C/C=c1/ccnn/c1=C/CC(C)C
InChIInChI=1S/C12H16N2/c1-4-5-11-8-9-13-14-12(11)7-6-10(2)3/h4-5,7-10H,1,6H2,2-3H3/b11-5-,12-7+
InChIKeyUBIFTBGLGGDVRZ-SSLOBORASA-N
XLogP1.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-3-(3-methylbutylidene)-4-prop-2-enylidenepyridazine?
The IUPAC name of (3E,4Z)-3-(3-methylbutylidene)-4-prop-2-enylidenepyridazine (CID 139378881) is (3E,4Z)-3-(3-methylbutylidene)-4-prop-2-enylidenepyridazine.
What is the SMILES notation for (3E,4Z)-3-(3-methylbutylidene)-4-prop-2-enylidenepyridazine?
The canonical SMILES for (3E,4Z)-3-(3-methylbutylidene)-4-prop-2-enylidenepyridazine is C=C/C=c1/ccnn/c1=C/CC(C)C.
What is the InChIKey of (3E,4Z)-3-(3-methylbutylidene)-4-prop-2-enylidenepyridazine?
The InChIKey is UBIFTBGLGGDVRZ-SSLOBORASA-N. The full InChI is InChI=1S/C12H16N2/c1-4-5-11-8-9-13-14-12(11)7-6-10(2)3/h4-5,7-10H,1,6H2,2-3H3/b11-5-,12-7+.
What are the key properties of (3E,4Z)-3-(3-methylbutylidene)-4-prop-2-enylidenepyridazine?
(3E,4Z)-3-(3-methylbutylidene)-4-prop-2-enylidenepyridazine has a molecular weight of 188.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-3-(3-methylbutylidene)-4-prop-2-enylidenepyridazine is sourced from PubChem (CID 139378881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).