3-butylpyridazine;hydrochloride

C8H13ClN2 — CID 121232273

IUPAC3-butylpyridazine;hydrochloride
SMILESCCCCc1cccnn1.Cl
InChIInChI=1S/C8H12N2.ClH/c1-2-3-5-8-6-4-7-9-10-8;/h4,6-7H,2-3,5H2,1H3;1H
InChIKeyZYAQGVSTRAKRPC-UHFFFAOYSA-N
MW172.66 g/mol
LogP2.24
Rot. Bonds3

About 3-butylpyridazine;hydrochloride

3-butylpyridazine;hydrochloride (PubChem CID 121232273) has the molecular formula C8H13ClN2 and a molecular weight of 172.66 g/mol. Its IUPAC name is 3-butylpyridazine;hydrochloride.

Molecular Properties

Compound Name3-butylpyridazine;hydrochloride
PubChem CID121232273
Molecular FormulaC8H13ClN2
Molecular Weight172.66 g/mol
Exact Mass172.08
IUPAC Name3-butylpyridazine;hydrochloride
SMILESCCCCc1cccnn1.Cl
InChIInChI=1S/C8H12N2.ClH/c1-2-3-5-8-6-4-7-9-10-8;/h4,6-7H,2-3,5H2,1H3;1H
InChIKeyZYAQGVSTRAKRPC-UHFFFAOYSA-N
XLogP2.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.66
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-pentylpyridazine;piperazine
CID 69210510
methanone;2-methylpropane;3-propylpyridazine;ruthenium(3+)
CID 169317298
chromium;2-pentylpyridine;hydrochloride
CID 175220071
2-tetradecylpyridine;hydrochloride
CID 45489746
ethanesulfonic acid;2-pyridazin-3-ylethanol
CID 158922440
2,6-dipentylpyridine
CID 58097448
ethanesulfinic acid;2-pyridazin-3-ylethanol
CID 175574452
N-(pyridazin-3-ylmethyl)heptan-2-amine
CID 106895304
2,6-didodecylpyridine
CID 90943274
2-undecylpyridine
CID 66882765
3-(ethoxymethyl)pyridazine
CID 68982284
3-propylpyridazine
CID 90878505

Frequently Asked Questions

What is the IUPAC name of 3-butylpyridazine;hydrochloride?
The IUPAC name of 3-butylpyridazine;hydrochloride (CID 121232273) is 3-butylpyridazine;hydrochloride.
What is the SMILES notation for 3-butylpyridazine;hydrochloride?
The canonical SMILES for 3-butylpyridazine;hydrochloride is CCCCc1cccnn1.Cl.
What is the InChIKey of 3-butylpyridazine;hydrochloride?
The InChIKey is ZYAQGVSTRAKRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.ClH/c1-2-3-5-8-6-4-7-9-10-8;/h4,6-7H,2-3,5H2,1H3;1H.
What are the key properties of 3-butylpyridazine;hydrochloride?
3-butylpyridazine;hydrochloride has a molecular weight of 172.66 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylpyridazine;hydrochloride is sourced from PubChem (CID 121232273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).