2-methylfuran;3-methyl-1,2-oxazole;3-methylpyridazine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine

C26H32N12O2 — CID 159879142

IUPAC2-methylfuran;3-methyl-1,2-oxazole;3-methylpyridazine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine
SMILESCc1cccnn1.Cc1ccco1.Cc1ccon1.Cc1cnncn1.Cc1nccnn1.Cc1ncncn1
InChIInChI=1S/C5H6N2.C5H6O.3C4H5N3.C4H5NO/c1-5-3-2-4-6-7-5;1-5-3-2-4-6-5;1-4-6-2-5-3-7-4;1-4-2-6-7-3-5-4;1-4-5-2-3-6-7-4;1-4-2-3-6-5-4/h2-4H,1H3;2-4H,1H3;3*2-3H,1H3;2-3H,1H3
InChIKeyNTHNUXSENWDODQ-UHFFFAOYSA-N
MW544.62 g/mol
LogP3.90
Rot. Bonds

About 2-methylfuran;3-methyl-1,2-oxazole;3-methylpyridazine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine

2-methylfuran;3-methyl-1,2-oxazole;3-methylpyridazine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine (PubChem CID 159879142) has the molecular formula C26H32N12O2 and a molecular weight of 544.62 g/mol. Its IUPAC name is 2-methylfuran;3-methyl-1,2-oxazole;3-methylpyridazine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine.

Molecular Properties

Compound Name2-methylfuran;3-methyl-1,2-oxazole;3-methylpyridazine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine
PubChem CID159879142
Molecular FormulaC26H32N12O2
Molecular Weight544.62 g/mol
Exact Mass544.28
IUPAC Name2-methylfuran;3-methyl-1,2-oxazole;3-methylpyridazine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine
SMILESCc1cccnn1.Cc1ccco1.Cc1ccon1.Cc1cnncn1.Cc1nccnn1.Cc1ncncn1
InChIInChI=1S/C5H6N2.C5H6O.3C4H5N3.C4H5NO/c1-5-3-2-4-6-7-5;1-5-3-2-4-6-5;1-4-6-2-5-3-7-4;1-4-2-6-7-3-5-4;1-4-5-2-3-6-7-4;1-4-2-3-6-5-4/h2-4H,1H3;2-4H,1H3;3*2-3H,1H3;2-3H,1H3
InChIKeyNTHNUXSENWDODQ-UHFFFAOYSA-N
XLogP3.90
TPSA180.96 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.62
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-methylfuran;3-methyl-1,2-oxazole;3-methylpyridazine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine with MolForge

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Launch Full Analysis

Related Compounds

2-Methylfuran;3-methyl-1,2-oxazole;2-methylpyrazine;3-methylpyridazine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine
CID 160740144

Frequently Asked Questions

What is the IUPAC name of 2-methylfuran;3-methyl-1,2-oxazole;3-methylpyridazine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine?
The IUPAC name of 2-methylfuran;3-methyl-1,2-oxazole;3-methylpyridazine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine (CID 159879142) is 2-methylfuran;3-methyl-1,2-oxazole;3-methylpyridazine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine.
What is the SMILES notation for 2-methylfuran;3-methyl-1,2-oxazole;3-methylpyridazine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine?
The canonical SMILES for 2-methylfuran;3-methyl-1,2-oxazole;3-methylpyridazine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine is Cc1cccnn1.Cc1ccco1.Cc1ccon1.Cc1cnncn1.Cc1nccnn1.Cc1ncncn1.
What is the InChIKey of 2-methylfuran;3-methyl-1,2-oxazole;3-methylpyridazine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine?
The InChIKey is NTHNUXSENWDODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.C5H6O.3C4H5N3.C4H5NO/c1-5-3-2-4-6-7-5;1-5-3-2-4-6-5;1-4-6-2-5-3-7-4;1-4-2-6-7-3-5-4;1-4-5-2-3-6-7-4;1-4-2-3-6-5-4/h2-4H,1H3;2-4H,1H3;3*2-3H,1H3;2-3H,1H3.
What are the key properties of 2-methylfuran;3-methyl-1,2-oxazole;3-methylpyridazine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine?
2-methylfuran;3-methyl-1,2-oxazole;3-methylpyridazine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine has a molecular weight of 544.62 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylfuran;3-methyl-1,2-oxazole;3-methylpyridazine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine is sourced from PubChem (CID 159879142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).