2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methyltetrazine;4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine

C41H50N22 — CID 159257431

IUPAC2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methyltetrazine;4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine
SMILESCc1ccccn1.Cc1cccnn1.Cc1ccncn1.Cc1ccnnn1.Cc1cnccn1.Cc1cncnn1.Cc1cnncn1.Cc1cnnnn1.Cc1ncccn1
InChIInChI=1S/C6H7N.4C5H6N2.3C4H5N3.C3H4N4/c1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-4-2-6-7-3-5-4;1-4-2-5-3-6-7-4;1-4-2-3-5-7-6-4;1-3-2-4-6-7-5-3/h2-5H,1H3;4*2-4H,1H3;3*2-3H,1H3;2H,1H3
InChIKeyKWBQFRNVIUOQAE-UHFFFAOYSA-N
MW851.01 g/mol
LogP4.65
Rot. Bonds

About 2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methyltetrazine;4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine

2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methyltetrazine;4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine (PubChem CID 159257431) has the molecular formula C41H50N22 and a molecular weight of 851.01 g/mol. Its IUPAC name is 2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methyltetrazine;4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine.

Molecular Properties

Compound Name2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methyltetrazine;4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine
PubChem CID159257431
Molecular FormulaC41H50N22
Molecular Weight851.01 g/mol
Exact Mass850.46
IUPAC Name2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methyltetrazine;4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine
SMILESCc1ccccn1.Cc1cccnn1.Cc1ccncn1.Cc1ccnnn1.Cc1cnccn1.Cc1cncnn1.Cc1cnncn1.Cc1cnnnn1.Cc1ncccn1
InChIInChI=1S/C6H7N.4C5H6N2.3C4H5N3.C3H4N4/c1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-4-2-6-7-3-5-4;1-4-2-5-3-6-7-4;1-4-2-3-5-7-6-4;1-3-2-4-6-7-5-3/h2-5H,1H3;4*2-4H,1H3;3*2-3H,1H3;2H,1H3
InChIKeyKWBQFRNVIUOQAE-UHFFFAOYSA-N
XLogP4.65
TPSA283.58 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.01
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methyltetrazine;4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine with MolForge

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Launch Full Analysis

Related Compounds

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
ethane;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene
CID 157388582
2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;toluene
CID 157075597
carbanide;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pentakis(vanadium)
CID 160759866
1-methylimidazole;2-methylpyrazine;1-methylpyrazole;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methylpyrrole;1-methyl-1,2,4-triazole
CID 159023055
1-methylpentazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine
CID 161081920
ethane;2-methylpyrazine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine
CID 165070949
bis(2-methylpyridine);bis(3-methylpyridine);bis(4-methylpyridine);bis(2-methylpyrimidine);bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene
CID 159589616
2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);5-methylpyrimidine;bis(2-methyl-1,3,5-triazine);toluene
CID 158554373
2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene
CID 157122549
ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;toluene
CID 158912509
bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;toluene
CID 158924789

Frequently Asked Questions

What is the IUPAC name of 2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methyltetrazine;4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine?
The IUPAC name of 2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methyltetrazine;4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine (CID 159257431) is 2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methyltetrazine;4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine.
What is the SMILES notation for 2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methyltetrazine;4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine?
The canonical SMILES for 2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methyltetrazine;4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine is Cc1ccccn1.Cc1cccnn1.Cc1ccncn1.Cc1ccnnn1.Cc1cnccn1.Cc1cncnn1.Cc1cnncn1.Cc1cnnnn1.Cc1ncccn1.
What is the InChIKey of 2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methyltetrazine;4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine?
The InChIKey is KWBQFRNVIUOQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.4C5H6N2.3C4H5N3.C3H4N4/c1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-4-2-6-7-3-5-4;1-4-2-5-3-6-7-4;1-4-2-3-5-7-6-4;1-3-2-4-6-7-5-3/h2-5H,1H3;4*2-4H,1H3;3*2-3H,1H3;2H,1H3.
What are the key properties of 2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methyltetrazine;4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine?
2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methyltetrazine;4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine has a molecular weight of 851.01 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methyltetrazine;4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine is sourced from PubChem (CID 159257431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).