2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole

C28H39N11 — CID 142855748

IUPAC2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole
SMILESCc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1nnn(C)n1
InChIInChI=1S/C7H9N.3C6H8N2.C3H6N4/c1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;1-3-4-6-7(2)5-3/h3-5H,1-2H3;3*3-4H,1-2H3;1-2H3
InChIKeyKEWZRYDUZPLCBO-UHFFFAOYSA-N
MW529.70 g/mol
LogP4.50
Rot. Bonds

About 2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole

2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole (PubChem CID 142855748) has the molecular formula C28H39N11 and a molecular weight of 529.70 g/mol. Its IUPAC name is 2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole.

Molecular Properties

Compound Name2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole
PubChem CID142855748
Molecular FormulaC28H39N11
Molecular Weight529.70 g/mol
Exact Mass529.34
IUPAC Name2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole
SMILESCc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1nnn(C)n1
InChIInChI=1S/C7H9N.3C6H8N2.C3H6N4/c1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;1-3-4-6-7(2)5-3/h3-5H,1-2H3;3*3-4H,1-2H3;1-2H3
InChIKeyKEWZRYDUZPLCBO-UHFFFAOYSA-N
XLogP4.50
TPSA133.83 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.70
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole?
The IUPAC name of 2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole (CID 142855748) is 2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole.
What is the SMILES notation for 2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole?
The canonical SMILES for 2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole is Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1nnn(C)n1.
What is the InChIKey of 2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole?
The InChIKey is KEWZRYDUZPLCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.3C6H8N2.C3H6N4/c1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;1-3-4-6-7(2)5-3/h3-5H,1-2H3;3*3-4H,1-2H3;1-2H3.
What are the key properties of 2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole?
2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole has a molecular weight of 529.70 g/mol, XLogP of 4.50, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole is sourced from PubChem (CID 142855748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).