2-benzyl-6-methyl-4,5-dihydro-3H-pyridazine

C12H16N2 — CID 86227815

IUPAC2-benzyl-6-methyl-4,5-dihydro-3H-pyridazine
SMILESCC1=NN(Cc2ccccc2)CCC1
InChIInChI=1S/C12H16N2/c1-11-6-5-9-14(13-11)10-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyFGXBTIINUPNQCS-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.66
Rot. Bonds2

About 2-benzyl-6-methyl-4,5-dihydro-3H-pyridazine

2-benzyl-6-methyl-4,5-dihydro-3H-pyridazine (PubChem CID 86227815) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-benzyl-6-methyl-4,5-dihydro-3H-pyridazine.

Molecular Properties

Compound Name2-benzyl-6-methyl-4,5-dihydro-3H-pyridazine
PubChem CID86227815
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-benzyl-6-methyl-4,5-dihydro-3H-pyridazine
SMILESCC1=NN(Cc2ccccc2)CCC1
InChIInChI=1S/C12H16N2/c1-11-6-5-9-14(13-11)10-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyFGXBTIINUPNQCS-UHFFFAOYSA-N
XLogP2.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-benzylpyrrolidine;propane
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CID 15916607
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CID 160853215
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CID 10954328
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CID 142634815
(1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
CID 44631754
1-benzyl-3-tert-butyl-2-methylpyrrolidin-3-ol
CID 130546283
1-benzylpiperidin-3-one;hydrate
CID 144851326
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CID 22044317
1-benzyl-4-tert-butylpiperazine
CID 3591937

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-methyl-4,5-dihydro-3H-pyridazine?
The IUPAC name of 2-benzyl-6-methyl-4,5-dihydro-3H-pyridazine (CID 86227815) is 2-benzyl-6-methyl-4,5-dihydro-3H-pyridazine.
What is the SMILES notation for 2-benzyl-6-methyl-4,5-dihydro-3H-pyridazine?
The canonical SMILES for 2-benzyl-6-methyl-4,5-dihydro-3H-pyridazine is CC1=NN(Cc2ccccc2)CCC1.
What is the InChIKey of 2-benzyl-6-methyl-4,5-dihydro-3H-pyridazine?
The InChIKey is FGXBTIINUPNQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-11-6-5-9-14(13-11)10-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3.
What are the key properties of 2-benzyl-6-methyl-4,5-dihydro-3H-pyridazine?
2-benzyl-6-methyl-4,5-dihydro-3H-pyridazine has a molecular weight of 188.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methyl-4,5-dihydro-3H-pyridazine is sourced from PubChem (CID 86227815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).