6-butyl-1-methyl-4H-pyridazine

C9H16N2 — CID 123818122

IUPAC6-butyl-1-methyl-4H-pyridazine
SMILESCCCCC1=CCC=NN1C
InChIInChI=1S/C9H16N2/c1-3-4-6-9-7-5-8-10-11(9)2/h7-8H,3-6H2,1-2H3
InChIKeyGJQWFUXDSXXGKD-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.38
Rot. Bonds3

About 6-butyl-1-methyl-4H-pyridazine

6-butyl-1-methyl-4H-pyridazine (PubChem CID 123818122) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 6-butyl-1-methyl-4H-pyridazine.

Molecular Properties

Compound Name6-butyl-1-methyl-4H-pyridazine
PubChem CID123818122
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name6-butyl-1-methyl-4H-pyridazine
SMILESCCCCC1=CCC=NN1C
InChIInChI=1S/C9H16N2/c1-3-4-6-9-7-5-8-10-11(9)2/h7-8H,3-6H2,1-2H3
InChIKeyGJQWFUXDSXXGKD-UHFFFAOYSA-N
XLogP2.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.38
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
1,6-dimethyl-4H-pyridazine
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6-butyl-1-prop-1-en-2-yl-4H-pyridazine
CID 123657354
2-(4-Ethylcyclohexen-1-yl)-3,4-dihydropyrazole
CID 155216876
(Z)-N-[(Z)-butylideneamino]-N,4-dimethylpent-2-en-3-amine
CID 156140312
ethane;(5E)-5-ethylidene-1-methyl-4H-pyrazole
CID 162725571
(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
6-tert-butyl-1-methyl-4H-pyridazine
CID 167491726
(Z)-N-[(2Z)-2-ethylidenepiperidin-1-yl]ethanimine
CID 169587677
(5R,6Z)-5-ethyl-1-methyl-6-prop-2-enylidene-4,5-dihydropyridazine
CID 174018685

Frequently Asked Questions

What is the IUPAC name of 6-butyl-1-methyl-4H-pyridazine?
The IUPAC name of 6-butyl-1-methyl-4H-pyridazine (CID 123818122) is 6-butyl-1-methyl-4H-pyridazine.
What is the SMILES notation for 6-butyl-1-methyl-4H-pyridazine?
The canonical SMILES for 6-butyl-1-methyl-4H-pyridazine is CCCCC1=CCC=NN1C.
What is the InChIKey of 6-butyl-1-methyl-4H-pyridazine?
The InChIKey is GJQWFUXDSXXGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-4-6-9-7-5-8-10-11(9)2/h7-8H,3-6H2,1-2H3.
What are the key properties of 6-butyl-1-methyl-4H-pyridazine?
6-butyl-1-methyl-4H-pyridazine has a molecular weight of 152.24 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-1-methyl-4H-pyridazine is sourced from PubChem (CID 123818122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).