ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene

C47H77N7 — CID 160922898

IUPACethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
SMILESCC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccnnc1
InChIInChI=1S/C7H8.3C6H7N.2C5H6N2.6C2H6/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-3-6-7-4-5;1-5-3-2-4-6-7-5;6*1-2/h2-6H,1H3;3*2-5H,1H3;2*2-4H,1H3;6*1-2H3
InChIKeySSGLRDSZDRTMQG-UHFFFAOYSA-N
MW740.18 g/mol
LogP13.89
Rot. Bonds

About ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene

ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene (PubChem CID 160922898) has the molecular formula C47H77N7 and a molecular weight of 740.18 g/mol. Its IUPAC name is ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene.

Molecular Properties

Compound Nameethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
PubChem CID160922898
Molecular FormulaC47H77N7
Molecular Weight740.18 g/mol
Exact Mass739.62
IUPAC Nameethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
SMILESCC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccnnc1
InChIInChI=1S/C7H8.3C6H7N.2C5H6N2.6C2H6/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-3-6-7-4-5;1-5-3-2-4-6-7-5;6*1-2/h2-6H,1H3;3*2-5H,1H3;2*2-4H,1H3;6*1-2H3
InChIKeySSGLRDSZDRTMQG-UHFFFAOYSA-N
XLogP13.89
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.18
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;toluene
CID 158912509
ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
CID 158312228
2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
CID 157092955
ethane;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene
CID 157388582
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
2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;toluene
CID 157075597
bis(2,3-dimethylthiophene);ethane;methane;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
CID 159609173
ethane;2-methylpyrazine;2-methylpyridine;3-methylpyridine
CID 167693533
ethane;methylcyclohexane;2-methylpyridine;3-methylpyridine;toluene
CID 158414729
3-methylpyridine;4-methylpyridine
CID 21425791
ethane;2-methylpyridine;toluene
CID 143164268
1-methylpentazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine
CID 161081920

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene?
The IUPAC name of ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene (CID 160922898) is ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene.
What is the SMILES notation for ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene?
The canonical SMILES for ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene is CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccnnc1.
What is the InChIKey of ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene?
The InChIKey is SSGLRDSZDRTMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.3C6H7N.2C5H6N2.6C2H6/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-3-6-7-4-5;1-5-3-2-4-6-7-5;6*1-2/h2-6H,1H3;3*2-5H,1H3;2*2-4H,1H3;6*1-2H3.
What are the key properties of ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene?
ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene has a molecular weight of 740.18 g/mol, XLogP of 13.89, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene is sourced from PubChem (CID 160922898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).