6-butyl-1-prop-1-en-2-yl-4H-pyridazine

C11H18N2 — CID 123657354

IUPAC6-butyl-1-prop-1-en-2-yl-4H-pyridazine
SMILESC=C(C)N1N=CCC=C1CCCC
InChIInChI=1S/C11H18N2/c1-4-5-7-11-8-6-9-12-13(11)10(2)3/h8-9H,2,4-7H2,1,3H3
InChIKeyLWEATJGUQDUVPX-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.29
Rot. Bonds4

About 6-butyl-1-prop-1-en-2-yl-4H-pyridazine

6-butyl-1-prop-1-en-2-yl-4H-pyridazine (PubChem CID 123657354) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 6-butyl-1-prop-1-en-2-yl-4H-pyridazine.

Molecular Properties

Compound Name6-butyl-1-prop-1-en-2-yl-4H-pyridazine
PubChem CID123657354
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name6-butyl-1-prop-1-en-2-yl-4H-pyridazine
SMILESC=C(C)N1N=CCC=C1CCCC
InChIInChI=1S/C11H18N2/c1-4-5-7-11-8-6-9-12-13(11)10(2)3/h8-9H,2,4-7H2,1,3H3
InChIKeyLWEATJGUQDUVPX-UHFFFAOYSA-N
XLogP3.29
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5,7,8,9-Hexahydropyrido[1,2-b]diazepine
CID 54357801
6-butyl-1-methyl-4H-pyridazine
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2-(4-Ethylcyclohexen-1-yl)-3,4-dihydropyrazole
CID 155216876
(E)-N-[(2E)-2-ethylidenepiperidin-1-yl]ethanimine;methane
CID 166143534
1-cyclopentyl-3,6-dimethyl-4H-pyridazine
CID 167111827
9-Methyl-3,5,6,7,8,9-hexahydropyridazino[1,6-a]azepine
CID 167147875
(Z)-N-[(2Z)-2-ethylidenepiperidin-1-yl]ethanimine
CID 169587677
(E)-N-[(2E)-2-ethylidenepiperidin-1-yl]ethanimine
CID 166143535

Frequently Asked Questions

What is the IUPAC name of 6-butyl-1-prop-1-en-2-yl-4H-pyridazine?
The IUPAC name of 6-butyl-1-prop-1-en-2-yl-4H-pyridazine (CID 123657354) is 6-butyl-1-prop-1-en-2-yl-4H-pyridazine.
What is the SMILES notation for 6-butyl-1-prop-1-en-2-yl-4H-pyridazine?
The canonical SMILES for 6-butyl-1-prop-1-en-2-yl-4H-pyridazine is C=C(C)N1N=CCC=C1CCCC.
What is the InChIKey of 6-butyl-1-prop-1-en-2-yl-4H-pyridazine?
The InChIKey is LWEATJGUQDUVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-5-7-11-8-6-9-12-13(11)10(2)3/h8-9H,2,4-7H2,1,3H3.
What are the key properties of 6-butyl-1-prop-1-en-2-yl-4H-pyridazine?
6-butyl-1-prop-1-en-2-yl-4H-pyridazine has a molecular weight of 178.28 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-1-prop-1-en-2-yl-4H-pyridazine is sourced from PubChem (CID 123657354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).