2,3-dimethylpyrazine;3,4-dimethylpyridazine;2,3-dimethylpyridine;1,2,3-trimethylbenzene;3,4,5-trimethylpyridazine;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine

C51H69N9 — CID 158549407

IUPAC2,3-dimethylpyrazine;3,4-dimethylpyridazine;2,3-dimethylpyridine;1,2,3-trimethylbenzene;3,4,5-trimethylpyridazine;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine
SMILESCc1cccc(C)c1C.Cc1cccnc1C.Cc1ccnc(C)c1C.Cc1ccnnc1C.Cc1cncc(C)c1C.Cc1cnnc(C)c1C.Cc1nccnc1C
InChIInChI=1S/C9H12.2C8H11N.C7H10N2.C7H9N.2C6H8N2/c1-7-5-4-6-8(2)9(7)3;1-6-4-9-5-7(2)8(6)3;1-6-4-5-9-8(3)7(6)2;1-5-4-8-9-7(3)6(5)2;1-6-4-3-5-8-7(6)2;1-5-6(2)8-4-3-7-5;1-5-3-4-7-8-6(5)2/h4-6H,1-3H3;2*4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3;2*3-4H,1-2H3
InChIKeyHPNJVVJMZRPSSQ-UHFFFAOYSA-N
MW808.18 g/mol
LogP11.91
Rot. Bonds

About 2,3-dimethylpyrazine;3,4-dimethylpyridazine;2,3-dimethylpyridine;1,2,3-trimethylbenzene;3,4,5-trimethylpyridazine;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine

2,3-dimethylpyrazine;3,4-dimethylpyridazine;2,3-dimethylpyridine;1,2,3-trimethylbenzene;3,4,5-trimethylpyridazine;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine (PubChem CID 158549407) has the molecular formula C51H69N9 and a molecular weight of 808.18 g/mol. Its IUPAC name is 2,3-dimethylpyrazine;3,4-dimethylpyridazine;2,3-dimethylpyridine;1,2,3-trimethylbenzene;3,4,5-trimethylpyridazine;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine.

Molecular Properties

Compound Name2,3-dimethylpyrazine;3,4-dimethylpyridazine;2,3-dimethylpyridine;1,2,3-trimethylbenzene;3,4,5-trimethylpyridazine;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine
PubChem CID158549407
Molecular FormulaC51H69N9
Molecular Weight808.18 g/mol
Exact Mass807.57
IUPAC Name2,3-dimethylpyrazine;3,4-dimethylpyridazine;2,3-dimethylpyridine;1,2,3-trimethylbenzene;3,4,5-trimethylpyridazine;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine
SMILESCc1cccc(C)c1C.Cc1cccnc1C.Cc1ccnc(C)c1C.Cc1ccnnc1C.Cc1cncc(C)c1C.Cc1cnnc(C)c1C.Cc1nccnc1C
InChIInChI=1S/C9H12.2C8H11N.C7H10N2.C7H9N.2C6H8N2/c1-7-5-4-6-8(2)9(7)3;1-6-4-9-5-7(2)8(6)3;1-6-4-5-9-8(3)7(6)2;1-5-4-8-9-7(3)6(5)2;1-6-4-3-5-8-7(6)2;1-5-6(2)8-4-3-7-5;1-5-3-4-7-8-6(5)2/h4-6H,1-3H3;2*4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3;2*3-4H,1-2H3
InChIKeyHPNJVVJMZRPSSQ-UHFFFAOYSA-N
XLogP11.91
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.18
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2,3-dimethylpyrazine;3,4-dimethylpyridazine;2,3-dimethylpyridine;1,2,3-trimethylbenzene;3,4,5-trimethylpyridazine;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine with MolForge

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Related Compounds

1,2,3-trimethylbenzene;3,4,5-trimethylpyridazine;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine;4,5,6-trimethylpyrimidine
CID 159225546
2,3-dimethylpyrazine;4,5-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);methane
CID 158000853
2,3-dimethylpyrazine;bis(3,4-dimethylpyridazine);4,5-dimethylpyridazine;bis(4,5-dimethylpyrimidine);ethane;bis(3,5,6-trimethyl-1,2,4-triazine)
CID 159055777
ethane;3,4,5-trimethylpyridazine
CID 142187300
bis(2,3-dimethylpyridine);ethane
CID 159594018
2,3-dimethylpyridine;1,4-xylene
CID 174745079
potassium;1,2,3-trimethylbenzene;chloride
CID 174813799
3,4-dimethylpyridazine;ethane;propane
CID 164863019
1,2-dimethylcyclopenta-1,3-diene;2,3-dimethylpyrazine;3,4-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-3H-pyrrole);1,2-xylene
CID 158785175
butane;3,4-dimethylpyridazine;ethane
CID 142319830
3-(2,3-dimethylphenyl)-4,5-dimethylpyridine
CID 146588490
buta-1,3-diene;2,3-dimethylpyridine;ethane
CID 145249818

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpyrazine;3,4-dimethylpyridazine;2,3-dimethylpyridine;1,2,3-trimethylbenzene;3,4,5-trimethylpyridazine;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine?
The IUPAC name of 2,3-dimethylpyrazine;3,4-dimethylpyridazine;2,3-dimethylpyridine;1,2,3-trimethylbenzene;3,4,5-trimethylpyridazine;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine (CID 158549407) is 2,3-dimethylpyrazine;3,4-dimethylpyridazine;2,3-dimethylpyridine;1,2,3-trimethylbenzene;3,4,5-trimethylpyridazine;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine.
What is the SMILES notation for 2,3-dimethylpyrazine;3,4-dimethylpyridazine;2,3-dimethylpyridine;1,2,3-trimethylbenzene;3,4,5-trimethylpyridazine;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine?
The canonical SMILES for 2,3-dimethylpyrazine;3,4-dimethylpyridazine;2,3-dimethylpyridine;1,2,3-trimethylbenzene;3,4,5-trimethylpyridazine;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine is Cc1cccc(C)c1C.Cc1cccnc1C.Cc1ccnc(C)c1C.Cc1ccnnc1C.Cc1cncc(C)c1C.Cc1cnnc(C)c1C.Cc1nccnc1C.
What is the InChIKey of 2,3-dimethylpyrazine;3,4-dimethylpyridazine;2,3-dimethylpyridine;1,2,3-trimethylbenzene;3,4,5-trimethylpyridazine;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine?
The InChIKey is HPNJVVJMZRPSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.2C8H11N.C7H10N2.C7H9N.2C6H8N2/c1-7-5-4-6-8(2)9(7)3;1-6-4-9-5-7(2)8(6)3;1-6-4-5-9-8(3)7(6)2;1-5-4-8-9-7(3)6(5)2;1-6-4-3-5-8-7(6)2;1-5-6(2)8-4-3-7-5;1-5-3-4-7-8-6(5)2/h4-6H,1-3H3;2*4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3;2*3-4H,1-2H3.
What are the key properties of 2,3-dimethylpyrazine;3,4-dimethylpyridazine;2,3-dimethylpyridine;1,2,3-trimethylbenzene;3,4,5-trimethylpyridazine;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine?
2,3-dimethylpyrazine;3,4-dimethylpyridazine;2,3-dimethylpyridine;1,2,3-trimethylbenzene;3,4,5-trimethylpyridazine;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine has a molecular weight of 808.18 g/mol, XLogP of 11.91, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpyrazine;3,4-dimethylpyridazine;2,3-dimethylpyridine;1,2,3-trimethylbenzene;3,4,5-trimethylpyridazine;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine is sourced from PubChem (CID 158549407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).