4H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2,4-triazine

C42H48N20O4 — CID 165059123

IUPAC4H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2,4-triazine
SMILESC.C1=CCN=C1.C1=CN=CC1.C1=NC=NC1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnoc1.c1cocn1.c1ncon1.c1nnco1
InChIInChI=1S/C5H5N.3C4H4N2.2C4H5N.C3H3N3.C3H4N2.2C3H3NO.2C2H2N2O.CH4/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-5-6-3-4-1;2*1-2-5-3-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;/h1-5H;3*1-4H;1,3-4H,2H2;1-3H,4H2;1-3H;1,3H,2H2;2*1-3H;2*1-2H;1H4
InChIKeyQXIZLXYZTLJSNK-UHFFFAOYSA-N
MW896.98 g/mol
LogP6.21
Rot. Bonds

About 4H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2,4-triazine

4H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2,4-triazine (PubChem CID 165059123) has the molecular formula C42H48N20O4 and a molecular weight of 896.98 g/mol. Its IUPAC name is 4H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2,4-triazine.

Molecular Properties

Compound Name4H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2,4-triazine
PubChem CID165059123
Molecular FormulaC42H48N20O4
Molecular Weight896.98 g/mol
Exact Mass896.42
IUPAC Name4H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2,4-triazine
SMILESC.C1=CCN=C1.C1=CN=CC1.C1=NC=NC1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnoc1.c1cocn1.c1ncon1.c1nnco1
InChIInChI=1S/C5H5N.3C4H4N2.2C4H5N.C3H3N3.C3H4N2.2C3H3NO.2C2H2N2O.CH4/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-5-6-3-4-1;2*1-2-5-3-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;/h1-5H;3*1-4H;1,3-4H,2H2;1-3H,4H2;1-3H;1,3H,2H2;2*1-3H;2*1-2H;1H4
InChIKeyQXIZLXYZTLJSNK-UHFFFAOYSA-N
XLogP6.21
TPSA308.24 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500896.98
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 4H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2,4-triazine with MolForge

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Related Compounds

2,2-Dimethylpropane;ethane;nonakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;thiadiazole;1,2-thiazole
CID 157105346
Methane;1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,4-triazole
CID 157168114
1,3-Dimethylimidazol-1-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethyl-1,3,5-triazin-1-ium;1,4-dimethyl-1,2,4-triazol-4-ium;ethane;methane;2-methyl-1,2-oxazol-2-ium;3-methyl-1,3-oxazol-3-ium;1-methylpyrazin-1-ium;bis(1-methylpyridazin-1-ium);1-methylpyridin-1-ium;1-methylpyrimidin-1-ium;2-methyl-1,2-thiazol-2-ium;3-methyl-1,3-thiazol-3-ium;1-methyl-1,3,5-triazin-1-ium
CID 157326610
1,3-Dimethylimidazol-1-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethyl-1,3,5-triazin-1-ium;1,4-dimethyl-1,2,4-triazol-4-ium;ethane;2-methyl-1,2-oxazol-2-ium;3-methyl-1,3-oxazol-3-ium;1-methylpyrazin-1-ium;bis(1-methylpyridazin-1-ium);1-methylpyridin-1-ium;1-methylpyrimidin-1-ium;2-methyl-1,2-thiazol-2-ium;3-methyl-1,3-thiazol-3-ium;1-methyl-1,3,5-triazin-1-ium
CID 157415543
bis(2H-imidazole);1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;pyridazine;pyridine;pyrimidine;bis(2H-pyrrole);bis(3H-pyrrole);1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;3H-1,2,4-triazole
CID 157482186
Furan;1-methylimidazole;1-methylpyrazole;1-methylpyrrole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine;1,3,5-triazine
CID 157541562
Benzene;furan;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4,5-tetrazine;1,2,4-triazine;1,3,5-triazine
CID 157660697
1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-triazole
CID 157705834
Benzene;nonakis(2,2-dimethylpropane);ethane;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine
CID 158290483
Ethane;undecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,2-thiazole
CID 158391702
Bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,6-dimethylpyrazine;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,4-dimethyl-1,3,5-triazine;bis(1,3-dimethyl-1,2,4-triazole)
CID 158602735
2-Methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine
CID 159325918

Frequently Asked Questions

What is the IUPAC name of 4H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2,4-triazine?
The IUPAC name of 4H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2,4-triazine (CID 165059123) is 4H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2,4-triazine.
What is the SMILES notation for 4H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2,4-triazine?
The canonical SMILES for 4H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2,4-triazine is C.C1=CCN=C1.C1=CN=CC1.C1=NC=NC1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnoc1.c1cocn1.c1ncon1.c1nnco1.
What is the InChIKey of 4H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2,4-triazine?
The InChIKey is QXIZLXYZTLJSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.3C4H4N2.2C4H5N.C3H3N3.C3H4N2.2C3H3NO.2C2H2N2O.CH4/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-5-6-3-4-1;2*1-2-5-3-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;/h1-5H;3*1-4H;1,3-4H,2H2;1-3H,4H2;1-3H;1,3H,2H2;2*1-3H;2*1-2H;1H4.
What are the key properties of 4H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2,4-triazine?
4H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2,4-triazine has a molecular weight of 896.98 g/mol, XLogP of 6.21, 0 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2,4-triazine is sourced from PubChem (CID 165059123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).