4-methyloxadiazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiadiazole;5-methylthiadiazole;6-methyl-1,2,4-triazine;5-methyl-1H-1,2,4-triazole

C54H67N23OS2 — CID 162004495

IUPAC4-methyloxadiazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiadiazole;5-methylthiadiazole;6-methyl-1,2,4-triazine;5-methyl-1H-1,2,4-triazole
SMILESCc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1cnccn1.Cc1cncnc1.Cc1cncnn1.Cc1cnns1.Cc1conn1.Cc1csnn1.Cc1ncccn1.Cc1ncn[nH]1
InChIInChI=1S/3C6H7N.4C5H6N2.C4H5N3.C3H5N3.C3H4N2O.2C3H4N2S/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-4-2-5-3-6-7-4;1-3-4-2-5-6-3;2*1-3-2-6-5-4-3;1-3-2-4-5-6-3/h3*2-5H,1H3;4*2-4H,1H3;2-3H,1H3;2H,1H3,(H,4,5,6);3*2H,1H3
InChIKeyYSQLZJSMSWUTIL-UHFFFAOYSA-N
MW1118.42 g/mol
LogP9.67
Rot. Bonds

About 4-methyloxadiazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiadiazole;5-methylthiadiazole;6-methyl-1,2,4-triazine;5-methyl-1H-1,2,4-triazole

4-methyloxadiazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiadiazole;5-methylthiadiazole;6-methyl-1,2,4-triazine;5-methyl-1H-1,2,4-triazole (PubChem CID 162004495) has the molecular formula C54H67N23OS2 and a molecular weight of 1118.42 g/mol. Its IUPAC name is 4-methyloxadiazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiadiazole;5-methylthiadiazole;6-methyl-1,2,4-triazine;5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name4-methyloxadiazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiadiazole;5-methylthiadiazole;6-methyl-1,2,4-triazine;5-methyl-1H-1,2,4-triazole
PubChem CID162004495
Molecular FormulaC54H67N23OS2
Molecular Weight1118.42 g/mol
Exact Mass1117.53
IUPAC Name4-methyloxadiazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiadiazole;5-methylthiadiazole;6-methyl-1,2,4-triazine;5-methyl-1H-1,2,4-triazole
SMILESCc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1cnccn1.Cc1cncnc1.Cc1cncnn1.Cc1cnns1.Cc1conn1.Cc1csnn1.Cc1ncccn1.Cc1ncn[nH]1
InChIInChI=1S/3C6H7N.4C5H6N2.C4H5N3.C3H5N3.C3H4N2O.2C3H4N2S/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-4-2-5-3-6-7-4;1-3-4-2-5-6-3;2*1-3-2-6-5-4-3;1-3-2-4-5-6-3/h3*2-5H,1H3;4*2-4H,1H3;2-3H,1H3;2H,1H3,(H,4,5,6);3*2H,1H3
InChIKeyYSQLZJSMSWUTIL-UHFFFAOYSA-N
XLogP9.67
TPSA312.51 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001118.42
LogP ≤ 59.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze 4-methyloxadiazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiadiazole;5-methylthiadiazole;6-methyl-1,2,4-triazine;5-methyl-1H-1,2,4-triazole with MolForge

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Related Compounds

4-[3-pyridazin-3-yl-6-pyridin-2-yl-2-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-5-(thiadiazol-4-yl)-3-(2H-triazol-4-yl)-1H-pyrazin-4-yl]oxadiazole
CID 141214137
5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;2-methyl-1,3,5-triazine;5-methyl-1H-1,2,4-triazole
CID 158972034
1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;1-methylpyrrole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole
CID 161214655
5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methyl-1H-1,2,4-triazole
CID 161821012
1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;4-methylthiadiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole
CID 162095956
3,4-dimethyl-1,2,4-triazole;ethane;oxadiazole;pyrazine;pyridazine;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole
CID 162163118

Frequently Asked Questions

What is the IUPAC name of 4-methyloxadiazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiadiazole;5-methylthiadiazole;6-methyl-1,2,4-triazine;5-methyl-1H-1,2,4-triazole?
The IUPAC name of 4-methyloxadiazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiadiazole;5-methylthiadiazole;6-methyl-1,2,4-triazine;5-methyl-1H-1,2,4-triazole (CID 162004495) is 4-methyloxadiazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiadiazole;5-methylthiadiazole;6-methyl-1,2,4-triazine;5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 4-methyloxadiazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiadiazole;5-methylthiadiazole;6-methyl-1,2,4-triazine;5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 4-methyloxadiazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiadiazole;5-methylthiadiazole;6-methyl-1,2,4-triazine;5-methyl-1H-1,2,4-triazole is Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1cnccn1.Cc1cncnc1.Cc1cncnn1.Cc1cnns1.Cc1conn1.Cc1csnn1.Cc1ncccn1.Cc1ncn[nH]1.
What is the InChIKey of 4-methyloxadiazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiadiazole;5-methylthiadiazole;6-methyl-1,2,4-triazine;5-methyl-1H-1,2,4-triazole?
The InChIKey is YSQLZJSMSWUTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.4C5H6N2.C4H5N3.C3H5N3.C3H4N2O.2C3H4N2S/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-4-2-5-3-6-7-4;1-3-4-2-5-6-3;2*1-3-2-6-5-4-3;1-3-2-4-5-6-3/h3*2-5H,1H3;4*2-4H,1H3;2-3H,1H3;2H,1H3,(H,4,5,6);3*2H,1H3.
What are the key properties of 4-methyloxadiazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiadiazole;5-methylthiadiazole;6-methyl-1,2,4-triazine;5-methyl-1H-1,2,4-triazole?
4-methyloxadiazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiadiazole;5-methylthiadiazole;6-methyl-1,2,4-triazine;5-methyl-1H-1,2,4-triazole has a molecular weight of 1118.42 g/mol, XLogP of 9.67, 0 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyloxadiazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiadiazole;5-methylthiadiazole;6-methyl-1,2,4-triazine;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 162004495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).