3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-propan-2-yl-5,6-dihydro-1H-pyridazine

C12H20N2 — CID 89468902

IUPAC3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-propan-2-yl-5,6-dihydro-1H-pyridazine
SMILESC=C/C=C\C1=C(C)CCNN1C(C)C
InChIInChI=1S/C12H20N2/c1-5-6-7-12-11(4)8-9-13-14(12)10(2)3/h5-7,10,13H,1,8-9H2,2-4H3/b7-6-
InChIKeyXCNZPXUUQYJVAW-SREVYHEPSA-N
MW192.31 g/mol
LogP2.62
Rot. Bonds3

About 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-propan-2-yl-5,6-dihydro-1H-pyridazine

3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-propan-2-yl-5,6-dihydro-1H-pyridazine (PubChem CID 89468902) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-propan-2-yl-5,6-dihydro-1H-pyridazine.

Molecular Properties

Compound Name3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-propan-2-yl-5,6-dihydro-1H-pyridazine
PubChem CID89468902
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-propan-2-yl-5,6-dihydro-1H-pyridazine
SMILESC=C/C=C\C1=C(C)CCNN1C(C)C
InChIInChI=1S/C12H20N2/c1-5-6-7-12-11(4)8-9-13-14(12)10(2)3/h5-7,10,13H,1,8-9H2,2-4H3/b7-6-
InChIKeyXCNZPXUUQYJVAW-SREVYHEPSA-N
XLogP2.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-propan-2-yl-5,6-dihydro-1H-pyridazine?
The IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-propan-2-yl-5,6-dihydro-1H-pyridazine (CID 89468902) is 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-propan-2-yl-5,6-dihydro-1H-pyridazine.
What is the SMILES notation for 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-propan-2-yl-5,6-dihydro-1H-pyridazine?
The canonical SMILES for 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-propan-2-yl-5,6-dihydro-1H-pyridazine is C=C/C=C\C1=C(C)CCNN1C(C)C.
What is the InChIKey of 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-propan-2-yl-5,6-dihydro-1H-pyridazine?
The InChIKey is XCNZPXUUQYJVAW-SREVYHEPSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-6-7-12-11(4)8-9-13-14(12)10(2)3/h5-7,10,13H,1,8-9H2,2-4H3/b7-6-.
What are the key properties of 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-propan-2-yl-5,6-dihydro-1H-pyridazine?
3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-propan-2-yl-5,6-dihydro-1H-pyridazine has a molecular weight of 192.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-propan-2-yl-5,6-dihydro-1H-pyridazine is sourced from PubChem (CID 89468902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).