ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;toluene

C32H52N4 — CID 158912509

IUPACethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;toluene
SMILESCC.CC.CC.CC.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1
InChIInChI=1S/C7H8.2C6H7N.C5H6N2.4C2H6/c1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-2-4-6-7-5;4*1-2/h2-6H,1H3;2*2-5H,1H3;2-4H,1H3;4*1-2H3
InChIKeyJGVDHZGEEBZCBG-UHFFFAOYSA-N
MW492.80 g/mol
LogP9.66
Rot. Bonds

About ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;toluene

ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;toluene (PubChem CID 158912509) has the molecular formula C32H52N4 and a molecular weight of 492.80 g/mol. Its IUPAC name is ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;toluene.

Molecular Properties

Compound Nameethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;toluene
PubChem CID158912509
Molecular FormulaC32H52N4
Molecular Weight492.80 g/mol
Exact Mass492.42
IUPAC Nameethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;toluene
SMILESCC.CC.CC.CC.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1
InChIInChI=1S/C7H8.2C6H7N.C5H6N2.4C2H6/c1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-2-4-6-7-5;4*1-2/h2-6H,1H3;2*2-5H,1H3;2-4H,1H3;4*1-2H3
InChIKeyJGVDHZGEEBZCBG-UHFFFAOYSA-N
XLogP9.66
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.80
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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ethane;2-methylpyridine;toluene
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3-methyldiazecine
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2-methylpyridine;pyridine
CID 19753594
ethane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine
CID 157260793

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;toluene?
The IUPAC name of ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;toluene (CID 158912509) is ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;toluene.
What is the SMILES notation for ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;toluene?
The canonical SMILES for ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;toluene is CC.CC.CC.CC.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.
What is the InChIKey of ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;toluene?
The InChIKey is JGVDHZGEEBZCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.2C6H7N.C5H6N2.4C2H6/c1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-2-4-6-7-5;4*1-2/h2-6H,1H3;2*2-5H,1H3;2-4H,1H3;4*1-2H3.
What are the key properties of ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;toluene?
ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;toluene has a molecular weight of 492.80 g/mol, XLogP of 9.66, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;toluene is sourced from PubChem (CID 158912509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).