benzene;ethane;furan;1H-imidazole;octakis(2-methylpropane);4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine

C104H209N19O — CID 160567937

IUPACbenzene;ethane;furan;1H-imidazole;octakis(2-methylpropane);4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1=NCN=C1.CC(C)c1ncn[nH]1.CC(C)n1cccn1.c1c[nH]cn1.c1ccccc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1cnccn1.c1cncnc1.c1cnncn1
InChIInChI=1S/2C6H10N2.C6H6.C5H9N3.C5H5N.3C4H4N2.C4H4O.8C4H10.C3H3N3.C3H4N2.11C2H6/c1-5(2)6-3-7-4-8-6;1-6(2)8-5-3-4-7-8;1-2-4-6-5-3-1;1-4(2)5-6-3-7-8-5;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-2-4-5-3-1;8*1-4(2)3;1-2-5-6-3-4-1;1-2-5-3-4-1;11*1-2/h3,5H,4H2,1-2H3;3-6H,1-2H3;1-6H;3-4H,1-2H3,(H,6,7,8);1-5H;3*1-4H;1-4H;8*4H,1-3H3;1-3H;1-3H,(H,4,5);11*1-2H3
InChIKeyRAEASSWSRWLIQP-UHFFFAOYSA-N
MW1741.95 g/mol
LogP33.86
Rot. Bonds3

About benzene;ethane;furan;1H-imidazole;octakis(2-methylpropane);4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine

benzene;ethane;furan;1H-imidazole;octakis(2-methylpropane);4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine (PubChem CID 160567937) has the molecular formula C104H209N19O and a molecular weight of 1741.95 g/mol. Its IUPAC name is benzene;ethane;furan;1H-imidazole;octakis(2-methylpropane);4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine.

Molecular Properties

Compound Namebenzene;ethane;furan;1H-imidazole;octakis(2-methylpropane);4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine
PubChem CID160567937
Molecular FormulaC104H209N19O
Molecular Weight1741.95 g/mol
Exact Mass1740.69
IUPAC Namebenzene;ethane;furan;1H-imidazole;octakis(2-methylpropane);4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1=NCN=C1.CC(C)c1ncn[nH]1.CC(C)n1cccn1.c1c[nH]cn1.c1ccccc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1cnccn1.c1cncnc1.c1cnncn1
InChIInChI=1S/2C6H10N2.C6H6.C5H9N3.C5H5N.3C4H4N2.C4H4O.8C4H10.C3H3N3.C3H4N2.11C2H6/c1-5(2)6-3-7-4-8-6;1-6(2)8-5-3-4-7-8;1-2-4-6-5-3-1;1-4(2)5-6-3-7-8-5;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-2-4-5-3-1;8*1-4(2)3;1-2-5-6-3-4-1;1-2-5-3-4-1;11*1-2/h3,5H,4H2,1-2H3;3-6H,1-2H3;1-6H;3-4H,1-2H3,(H,6,7,8);1-5H;3*1-4H;1-4H;8*4H,1-3H3;1-3H;1-3H,(H,4,5);11*1-2H3
InChIKeyRAEASSWSRWLIQP-UHFFFAOYSA-N
XLogP33.86
TPSA254.83 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds3
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001741.95
LogP ≤ 533.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze benzene;ethane;furan;1H-imidazole;octakis(2-methylpropane);4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine with MolForge

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Launch Full Analysis

Related Compounds

1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-4H-pyridazine
CID 141124492
N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-(furan-3-ylmethyl)formamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 142326689
benzene;furan;1H-imidazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;thiophene;1,3,5-triazine
CID 157132512
5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
CID 157198046
cumene;ethane;methane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 157289046
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)pyridazine;2,6-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyridin-2-one;2,4-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-3,5-di(propan-2-yl)pyrazole
CID 157456833
2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)pyridazine;1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-3,5-di(propan-2-yl)pyrazole
CID 157490744
3,5-ditert-butyl-1H-1,2,4-triazole;3,5-dimethyl-1-propan-2-ylpyrazole;methane;2-methyl-1-propan-2-ylimidazole;3-propan-2-ylfuran;1-propan-2-ylimidazole;3-propan-2-ylpyridine;1-propan-2-ylpyrrole;5-propan-2-yl-2H-tetrazole
CID 157582259
benzene;2,2-dimethylpropane;ethane;furan;1H-imidazole;methane;octakis(2-methylpropane);1,3-oxazole;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine
CID 157743663
5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine;1-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
CID 157829547
benzene;ethane;furan;1H-imidazole;methoxyethene;nonakis(2-methylpropane);1,3-oxazole;propane;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine
CID 157882174
1-tert-butylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butylpyrrole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 157911311

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;furan;1H-imidazole;octakis(2-methylpropane);4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine?
The IUPAC name of benzene;ethane;furan;1H-imidazole;octakis(2-methylpropane);4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine (CID 160567937) is benzene;ethane;furan;1H-imidazole;octakis(2-methylpropane);4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine.
What is the SMILES notation for benzene;ethane;furan;1H-imidazole;octakis(2-methylpropane);4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine?
The canonical SMILES for benzene;ethane;furan;1H-imidazole;octakis(2-methylpropane);4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1=NCN=C1.CC(C)c1ncn[nH]1.CC(C)n1cccn1.c1c[nH]cn1.c1ccccc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1cnccn1.c1cncnc1.c1cnncn1.
What is the InChIKey of benzene;ethane;furan;1H-imidazole;octakis(2-methylpropane);4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine?
The InChIKey is RAEASSWSRWLIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10N2.C6H6.C5H9N3.C5H5N.3C4H4N2.C4H4O.8C4H10.C3H3N3.C3H4N2.11C2H6/c1-5(2)6-3-7-4-8-6;1-6(2)8-5-3-4-7-8;1-2-4-6-5-3-1;1-4(2)5-6-3-7-8-5;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-2-4-5-3-1;8*1-4(2)3;1-2-5-6-3-4-1;1-2-5-3-4-1;11*1-2/h3,5H,4H2,1-2H3;3-6H,1-2H3;1-6H;3-4H,1-2H3,(H,6,7,8);1-5H;3*1-4H;1-4H;8*4H,1-3H3;1-3H;1-3H,(H,4,5);11*1-2H3.
What are the key properties of benzene;ethane;furan;1H-imidazole;octakis(2-methylpropane);4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine?
benzene;ethane;furan;1H-imidazole;octakis(2-methylpropane);4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine has a molecular weight of 1741.95 g/mol, XLogP of 33.86, 3 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;furan;1H-imidazole;octakis(2-methylpropane);4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine is sourced from PubChem (CID 160567937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).