2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylthiophene

C18H24N4S — CID 161222275

IUPAC2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylthiophene
SMILESCc1ccc(C)nn1.Cc1ccc(C)s1.Cc1cnc(C)cn1
InChIInChI=1S/2C6H8N2.C6H8S/c1-5-3-8-6(2)4-7-5;1-5-3-4-6(2)8-7-5;1-5-3-4-6(2)7-5/h2*3-4H,1-2H3;3-4H,1-2H3
InChIKeyUXRDKRLYOREWIF-UHFFFAOYSA-N
MW328.49 g/mol
LogP4.55
Rot. Bonds

About 2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylthiophene

2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylthiophene (PubChem CID 161222275) has the molecular formula C18H24N4S and a molecular weight of 328.49 g/mol. Its IUPAC name is 2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylthiophene.

Molecular Properties

Compound Name2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylthiophene
PubChem CID161222275
Molecular FormulaC18H24N4S
Molecular Weight328.49 g/mol
Exact Mass328.17
IUPAC Name2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylthiophene
SMILESCc1ccc(C)nn1.Cc1ccc(C)s1.Cc1cnc(C)cn1
InChIInChI=1S/2C6H8N2.C6H8S/c1-5-3-8-6(2)4-7-5;1-5-3-4-6(2)8-7-5;1-5-3-4-6(2)7-5/h2*3-4H,1-2H3;3-4H,1-2H3
InChIKeyUXRDKRLYOREWIF-UHFFFAOYSA-N
XLogP4.55
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylthiophene?
The IUPAC name of 2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylthiophene (CID 161222275) is 2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylthiophene.
What is the SMILES notation for 2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylthiophene?
The canonical SMILES for 2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylthiophene is Cc1ccc(C)nn1.Cc1ccc(C)s1.Cc1cnc(C)cn1.
What is the InChIKey of 2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylthiophene?
The InChIKey is UXRDKRLYOREWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H8N2.C6H8S/c1-5-3-8-6(2)4-7-5;1-5-3-4-6(2)8-7-5;1-5-3-4-6(2)7-5/h2*3-4H,1-2H3;3-4H,1-2H3.
What are the key properties of 2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylthiophene?
2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylthiophene has a molecular weight of 328.49 g/mol, XLogP of 4.55, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylthiophene is sourced from PubChem (CID 161222275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).