5-fluoropyrimidine;1H-imidazole;henicosakis(2-methylpropane);2-methyltriazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;tris(pyridine);tris(pyrimidine);1H-pyrrole;2H-tetrazole;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)

C155H290FN45O — CID 158516957

IUPAC5-fluoropyrimidine;1H-imidazole;henicosakis(2-methylpropane);2-methyltriazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;tris(pyridine);tris(pyrimidine);1H-pyrrole;2H-tetrazole;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)
SMILESCC(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)C.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)C.CC(C)C.CC(C)C.CC(C)C.Cn1nccn1.Fc1cncnc1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccnnc1.c1ccnnc1.c1cn[nH]c1.c1cn[nH]n1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cncnc1.c1cncnc1.c1cocn1.c1nc[nH]n1.c1nc[nH]n1.c1ncncn1.c1nn[nH]n1
InChIInChI=1S/3C5H5N.C4H3FN2.6C4H4N2.C4H5N.21C4H10.C3H3N3.C3H5N3.2C3H4N2.C3H3NO.4C2H3N3.CH2N4/c3*1-2-4-6-5-3-1;5-4-1-6-3-7-2-4;1-2-6-4-3-5-1;3*1-2-5-4-6-3-1;2*1-2-4-6-5-3-1;1-2-4-5-3-1;21*1-4(2)3;1-4-2-6-3-5-1;1-6-4-2-3-5-6;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;2*1-3-2-5-4-1;3*1-2-4-5-3-1/h3*1-5H;1-3H;6*1-4H;1-5H;21*4H,1-3H3;1-3H;2-3H,1H3;2*1-3H,(H,4,5);1-3H;4*1-2H,(H,3,4,5);1H,(H,2,3,4,5)
InChIKeyHLSYTHJCSFOOCE-UHFFFAOYSA-N
MW2819.34 g/mol
LogP42.24
Rot. Bonds

About 5-fluoropyrimidine;1H-imidazole;henicosakis(2-methylpropane);2-methyltriazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;tris(pyridine);tris(pyrimidine);1H-pyrrole;2H-tetrazole;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)

5-fluoropyrimidine;1H-imidazole;henicosakis(2-methylpropane);2-methyltriazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;tris(pyridine);tris(pyrimidine);1H-pyrrole;2H-tetrazole;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole) (PubChem CID 158516957) has the molecular formula C155H290FN45O and a molecular weight of 2819.34 g/mol. Its IUPAC name is 5-fluoropyrimidine;1H-imidazole;henicosakis(2-methylpropane);2-methyltriazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;tris(pyridine);tris(pyrimidine);1H-pyrrole;2H-tetrazole;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole).

Molecular Properties

Compound Name5-fluoropyrimidine;1H-imidazole;henicosakis(2-methylpropane);2-methyltriazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;tris(pyridine);tris(pyrimidine);1H-pyrrole;2H-tetrazole;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)
PubChem CID158516957
Molecular FormulaC155H290FN45O
Molecular Weight2819.34 g/mol
Exact Mass2817.40
IUPAC Name5-fluoropyrimidine;1H-imidazole;henicosakis(2-methylpropane);2-methyltriazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;tris(pyridine);tris(pyrimidine);1H-pyrrole;2H-tetrazole;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)
SMILESCC(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)C.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)C.CC(C)C.CC(C)C.CC(C)C.Cn1nccn1.Fc1cncnc1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccnnc1.c1ccnnc1.c1cn[nH]c1.c1cn[nH]n1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cncnc1.c1cncnc1.c1cocn1.c1nc[nH]n1.c1nc[nH]n1.c1ncncn1.c1nn[nH]n1
InChIInChI=1S/3C5H5N.C4H3FN2.6C4H4N2.C4H5N.21C4H10.C3H3N3.C3H5N3.2C3H4N2.C3H3NO.4C2H3N3.CH2N4/c3*1-2-4-6-5-3-1;5-4-1-6-3-7-2-4;1-2-6-4-3-5-1;3*1-2-5-4-6-3-1;2*1-2-4-6-5-3-1;1-2-4-5-3-1;21*1-4(2)3;1-4-2-6-3-5-1;1-6-4-2-3-5-6;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;2*1-3-2-5-4-1;3*1-2-4-5-3-1/h3*1-5H;1-3H;6*1-4H;1-5H;21*4H,1-3H3;1-3H;2-3H,1H3;2*1-3H,(H,4,5);1-3H;4*1-2H,(H,3,4,5);1H,(H,2,3,4,5)
InChIKeyHLSYTHJCSFOOCE-UHFFFAOYSA-N
XLogP42.24
TPSA608.43 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002819.34
LogP ≤ 542.24
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

Analyze 5-fluoropyrimidine;1H-imidazole;henicosakis(2-methylpropane);2-methyltriazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;tris(pyridine);tris(pyrimidine);1H-pyrrole;2H-tetrazole;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole) with MolForge

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Related Compounds

1H-imidazole;1,3-oxazole;pyrazine;bis(1H-pyrazole);pyridine;pyrimidine;1,3-thiazole;bis(1H-1,2,4-triazole)
CID 157434477
1H-imidazole;pentakis(2-methylpropane);1,3-oxazole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole;1H-pyrazole;pyridine;2H-triazole
CID 158611019
1H-imidazole;hexakis(2-methylpropane);1,3-oxazole;5-propan-2-yl-2H-tetrazole;1H-pyrazole;pyridine;1H-1,2,4-triazole;2H-triazole
CID 158696850
1H-imidazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;1,2,4-triazine;2H-triazole
CID 158742990
bis(1H-imidazole);1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrole
CID 158996040
1H-imidazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;1,3,5-triazine
CID 159470248
3-methyl-1,2,4-oxadiazole;1,3-oxazole;bis(1H-pyrazole);pyridine;pyrimidine;1H-pyrrole;2H-pyrrole
CID 159841460
benzene;furan;1H-imidazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3,5-triazine;1H-1,2,4-triazole
CID 160036243
1H-imidazole;heptakis(2-methylpropane);1,3-oxazole;1H-pyrazole;pyridine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole
CID 160238164
2-tert-butyl-5-fluoropyrimidine;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;1H-imidazole;pentakis(2-methylpropane);1-methylpyrazole;1H-pyrrole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole
CID 160435118
2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;2,6-bis[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]pyridine;2,6-bis(6-methyl-2-pyridinyl)pyridine;2,6-bis(pyrazol-1-ylmethyl)pyridine;2,6-bis(pyridin-2-ylmethyl)pyridine;1-[2-[(dimethylamino)methyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine;1-[2-[(dimethylamino)methyl]-1-methylimidazol-4-yl]-N,N-dimethylmethanamine;1-[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]-N,N-dimethylmethanamine;2,6-dipyridin-2-ylpyridine
CID 160873295
bis(1H-imidazole);1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole
CID 161008414

Frequently Asked Questions

What is the IUPAC name of 5-fluoropyrimidine;1H-imidazole;henicosakis(2-methylpropane);2-methyltriazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;tris(pyridine);tris(pyrimidine);1H-pyrrole;2H-tetrazole;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)?
The IUPAC name of 5-fluoropyrimidine;1H-imidazole;henicosakis(2-methylpropane);2-methyltriazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;tris(pyridine);tris(pyrimidine);1H-pyrrole;2H-tetrazole;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole) (CID 158516957) is 5-fluoropyrimidine;1H-imidazole;henicosakis(2-methylpropane);2-methyltriazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;tris(pyridine);tris(pyrimidine);1H-pyrrole;2H-tetrazole;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole).
What is the SMILES notation for 5-fluoropyrimidine;1H-imidazole;henicosakis(2-methylpropane);2-methyltriazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;tris(pyridine);tris(pyrimidine);1H-pyrrole;2H-tetrazole;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)?
The canonical SMILES for 5-fluoropyrimidine;1H-imidazole;henicosakis(2-methylpropane);2-methyltriazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;tris(pyridine);tris(pyrimidine);1H-pyrrole;2H-tetrazole;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole) is 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)C.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)C.CC(C)C.CC(C)C.CC(C)C.Cn1nccn1.Fc1cncnc1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccnnc1.c1ccnnc1.c1cn[nH]c1.c1cn[nH]n1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cncnc1.c1cncnc1.c1cocn1.c1nc[nH]n1.c1nc[nH]n1.c1ncncn1.c1nn[nH]n1.
What is the InChIKey of 5-fluoropyrimidine;1H-imidazole;henicosakis(2-methylpropane);2-methyltriazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;tris(pyridine);tris(pyrimidine);1H-pyrrole;2H-tetrazole;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)?
The InChIKey is HLSYTHJCSFOOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H5N.C4H3FN2.6C4H4N2.C4H5N.21C4H10.C3H3N3.C3H5N3.2C3H4N2.C3H3NO.4C2H3N3.CH2N4/c3*1-2-4-6-5-3-1;5-4-1-6-3-7-2-4;1-2-6-4-3-5-1;3*1-2-5-4-6-3-1;2*1-2-4-6-5-3-1;1-2-4-5-3-1;21*1-4(2)3;1-4-2-6-3-5-1;1-6-4-2-3-5-6;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;2*1-3-2-5-4-1;3*1-2-4-5-3-1/h3*1-5H;1-3H;6*1-4H;1-5H;21*4H,1-3H3;1-3H;2-3H,1H3;2*1-3H,(H,4,5);1-3H;4*1-2H,(H,3,4,5);1H,(H,2,3,4,5).
What are the key properties of 5-fluoropyrimidine;1H-imidazole;henicosakis(2-methylpropane);2-methyltriazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;tris(pyridine);tris(pyrimidine);1H-pyrrole;2H-tetrazole;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)?
5-fluoropyrimidine;1H-imidazole;henicosakis(2-methylpropane);2-methyltriazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;tris(pyridine);tris(pyrimidine);1H-pyrrole;2H-tetrazole;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole) has a molecular weight of 2819.34 g/mol, XLogP of 42.24, 0 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoropyrimidine;1H-imidazole;henicosakis(2-methylpropane);2-methyltriazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;tris(pyridine);tris(pyrimidine);1H-pyrrole;2H-tetrazole;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole) is sourced from PubChem (CID 158516957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).