methane;2-methylmorpholine;4-methylmorpholine;4-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1,3,4,5-tetramethylpyrazole

C44H69N13O2 — CID 161263379

IUPACmethane;2-methylmorpholine;4-methylmorpholine;4-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1,3,4,5-tetramethylpyrazole
SMILESC.CC1CNCCO1.CN1CCOCC1.Cc1ccccn1.Cc1ccncn1.Cc1ccnnc1.Cc1cncnc1.Cc1ncccn1.Cc1nn(C)c(C)c1C
InChIInChI=1S/C7H12N2.C6H7N.4C5H6N2.2C5H11NO.CH4/c1-5-6(2)8-9(4)7(5)3;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-6-2-4-7-5-3-6;1-5-4-6-2-3-7-5;/h1-4H3;2-5H,1H3;4*2-4H,1H3;2-5H2,1H3;5-6H,2-4H2,1H3;1H4
InChIKeyVCVXVZGJTKCTFC-UHFFFAOYSA-N
MW812.13 g/mol
LogP6.45
Rot. Bonds

About methane;2-methylmorpholine;4-methylmorpholine;4-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1,3,4,5-tetramethylpyrazole

methane;2-methylmorpholine;4-methylmorpholine;4-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1,3,4,5-tetramethylpyrazole (PubChem CID 161263379) has the molecular formula C44H69N13O2 and a molecular weight of 812.13 g/mol. Its IUPAC name is methane;2-methylmorpholine;4-methylmorpholine;4-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1,3,4,5-tetramethylpyrazole.

Molecular Properties

Compound Namemethane;2-methylmorpholine;4-methylmorpholine;4-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1,3,4,5-tetramethylpyrazole
PubChem CID161263379
Molecular FormulaC44H69N13O2
Molecular Weight812.13 g/mol
Exact Mass811.57
IUPAC Namemethane;2-methylmorpholine;4-methylmorpholine;4-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1,3,4,5-tetramethylpyrazole
SMILESC.CC1CNCCO1.CN1CCOCC1.Cc1ccccn1.Cc1ccncn1.Cc1ccnnc1.Cc1cncnc1.Cc1ncccn1.Cc1nn(C)c(C)c1C
InChIInChI=1S/C7H12N2.C6H7N.4C5H6N2.2C5H11NO.CH4/c1-5-6(2)8-9(4)7(5)3;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-6-2-4-7-5-3-6;1-5-4-6-2-3-7-5;/h1-4H3;2-5H,1H3;4*2-4H,1H3;2-5H2,1H3;5-6H,2-4H2,1H3;1H4
InChIKeyVCVXVZGJTKCTFC-UHFFFAOYSA-N
XLogP6.45
TPSA167.56 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500812.13
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze methane;2-methylmorpholine;4-methylmorpholine;4-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1,3,4,5-tetramethylpyrazole with MolForge

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Related Compounds

1-methylpentazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine
CID 161081920
carbanide;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pentakis(vanadium)
CID 160759866
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);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene
CID 157122549
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
bis(2,3-dimethylthiophene);ethane;2-methylpyridine;bis(3-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene
CID 158526238
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
1,4-dioxane;2-methylpyridine
CID 158048361
ethane;2-methylpyrazine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine
CID 165070949
2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;toluene
CID 157075597
7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-methyl-3,4-dihydro-1H-isoquinoline;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;[(2S)-4-methylmorpholin-2-yl]methanol;[(2R)-4-methylmorpholin-2-yl]methanol;[(3S)-4-methylmorpholin-3-yl]methanol;[(3R)-4-methylmorpholin-3-yl]methanol;1-methylpiperazine;1-methylpiperidine;2-methylpyridine;2-methylpyrimidine;[(2S)-1-methylpyrrolidin-2-yl]methanol;[(2R)-1-methylpyrrolidin-2-yl]methanol
CID 158771675

Frequently Asked Questions

What is the IUPAC name of methane;2-methylmorpholine;4-methylmorpholine;4-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1,3,4,5-tetramethylpyrazole?
The IUPAC name of methane;2-methylmorpholine;4-methylmorpholine;4-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1,3,4,5-tetramethylpyrazole (CID 161263379) is methane;2-methylmorpholine;4-methylmorpholine;4-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1,3,4,5-tetramethylpyrazole.
What is the SMILES notation for methane;2-methylmorpholine;4-methylmorpholine;4-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1,3,4,5-tetramethylpyrazole?
The canonical SMILES for methane;2-methylmorpholine;4-methylmorpholine;4-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1,3,4,5-tetramethylpyrazole is C.CC1CNCCO1.CN1CCOCC1.Cc1ccccn1.Cc1ccncn1.Cc1ccnnc1.Cc1cncnc1.Cc1ncccn1.Cc1nn(C)c(C)c1C.
What is the InChIKey of methane;2-methylmorpholine;4-methylmorpholine;4-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1,3,4,5-tetramethylpyrazole?
The InChIKey is VCVXVZGJTKCTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C6H7N.4C5H6N2.2C5H11NO.CH4/c1-5-6(2)8-9(4)7(5)3;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-6-2-4-7-5-3-6;1-5-4-6-2-3-7-5;/h1-4H3;2-5H,1H3;4*2-4H,1H3;2-5H2,1H3;5-6H,2-4H2,1H3;1H4.
What are the key properties of methane;2-methylmorpholine;4-methylmorpholine;4-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1,3,4,5-tetramethylpyrazole?
methane;2-methylmorpholine;4-methylmorpholine;4-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1,3,4,5-tetramethylpyrazole has a molecular weight of 812.13 g/mol, XLogP of 6.45, 0 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylmorpholine;4-methylmorpholine;4-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1,3,4,5-tetramethylpyrazole is sourced from PubChem (CID 161263379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).