1,4-dihydro-1,2,4-triazol-5-one;3,5-dimethyl-1,2-oxazole;ethane;1H-imidazole;methane;1-methylimidazole;4-methyl-1H-1,2,4-triazol-5-one;1,2,4-oxadiazol-3-amine;4H-1,2,4-oxadiazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole

C58H144N24O6 — CID 157455830

IUPAC1,4-dihydro-1,2,4-triazol-5-one;3,5-dimethyl-1,2-oxazole;ethane;1H-imidazole;methane;1-methylimidazole;4-methyl-1H-1,2,4-triazol-5-one;1,2,4-oxadiazol-3-amine;4H-1,2,4-oxadiazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole
SMILESC.C.C.C.C.C.C.C.C.C.C1CCNC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc(C)on1.Cn1ccnc1.Cn1cn[nH]c1=O.Nc1ncon1.O=c1[nH]cn[nH]1.O=c1[nH]cno1.c1c[nH]cn1.c1nc[nH]n1.c1nn[nH]n1
InChIInChI=1S/C5H7NO.C4H6N2.C4H9N.C3H5N3O.C3H4N2.2C2H3N3O.C2H3N3.C2H2N2O2.10C2H6.CH2N4.10CH4/c1-4-3-5(2)7-6-4;1-6-3-2-5-4-6;1-2-4-5-3-1;1-6-2-4-5-3(6)7;1-2-5-3-4-1;3-2-4-1-6-5-2;6-2-3-1-4-5-2;1-3-2-5-4-1;5-2-3-1-4-6-2;10*1-2;1-2-4-5-3-1;;;;;;;;;;/h3H,1-2H3;2-4H,1H3;5H,1-4H2;2H,1H3,(H,5,7);1-3H,(H,4,5);1H,(H2,3,5);1H,(H2,3,4,5,6);1-2H,(H,3,4,5);1H,(H,3,4,5);10*1-2H3;1H,(H,2,3,4,5);10*1H4
InChIKeyBTIOLNBJHZFQNZ-UHFFFAOYSA-N
MW1273.95 g/mol
LogP15.34
Rot. Bonds

About 1,4-dihydro-1,2,4-triazol-5-one;3,5-dimethyl-1,2-oxazole;ethane;1H-imidazole;methane;1-methylimidazole;4-methyl-1H-1,2,4-triazol-5-one;1,2,4-oxadiazol-3-amine;4H-1,2,4-oxadiazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole

1,4-dihydro-1,2,4-triazol-5-one;3,5-dimethyl-1,2-oxazole;ethane;1H-imidazole;methane;1-methylimidazole;4-methyl-1H-1,2,4-triazol-5-one;1,2,4-oxadiazol-3-amine;4H-1,2,4-oxadiazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole (PubChem CID 157455830) has the molecular formula C58H144N24O6 and a molecular weight of 1273.95 g/mol. Its IUPAC name is 1,4-dihydro-1,2,4-triazol-5-one;3,5-dimethyl-1,2-oxazole;ethane;1H-imidazole;methane;1-methylimidazole;4-methyl-1H-1,2,4-triazol-5-one;1,2,4-oxadiazol-3-amine;4H-1,2,4-oxadiazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole.

Molecular Properties

Compound Name1,4-dihydro-1,2,4-triazol-5-one;3,5-dimethyl-1,2-oxazole;ethane;1H-imidazole;methane;1-methylimidazole;4-methyl-1H-1,2,4-triazol-5-one;1,2,4-oxadiazol-3-amine;4H-1,2,4-oxadiazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole
PubChem CID157455830
Molecular FormulaC58H144N24O6
Molecular Weight1273.95 g/mol
Exact Mass1273.17
IUPAC Name1,4-dihydro-1,2,4-triazol-5-one;3,5-dimethyl-1,2-oxazole;ethane;1H-imidazole;methane;1-methylimidazole;4-methyl-1H-1,2,4-triazol-5-one;1,2,4-oxadiazol-3-amine;4H-1,2,4-oxadiazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole
SMILESC.C.C.C.C.C.C.C.C.C.C1CCNC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc(C)on1.Cn1ccnc1.Cn1cn[nH]c1=O.Nc1ncon1.O=c1[nH]cn[nH]1.O=c1[nH]cno1.c1c[nH]cn1.c1nc[nH]n1.c1nn[nH]n1
InChIInChI=1S/C5H7NO.C4H6N2.C4H9N.C3H5N3O.C3H4N2.2C2H3N3O.C2H3N3.C2H2N2O2.10C2H6.CH2N4.10CH4/c1-4-3-5(2)7-6-4;1-6-3-2-5-4-6;1-2-4-5-3-1;1-6-2-4-5-3(6)7;1-2-5-3-4-1;3-2-4-1-6-5-2;6-2-3-1-4-5-2;1-3-2-5-4-1;5-2-3-1-4-6-2;10*1-2;1-2-4-5-3-1;;;;;;;;;;/h3H,1-2H3;2-4H,1H3;5H,1-4H2;2H,1H3,(H,5,7);1-3H,(H,4,5);1H,(H2,3,5);1H,(H2,3,4,5,6);1-2H,(H,3,4,5);1H,(H,3,4,5);10*1-2H3;1H,(H,2,3,4,5);10*1H4
InChIKeyBTIOLNBJHZFQNZ-UHFFFAOYSA-N
XLogP15.34
TPSA416.64 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001273.95
LogP ≤ 515.34
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Analyze 1,4-dihydro-1,2,4-triazol-5-one;3,5-dimethyl-1,2-oxazole;ethane;1H-imidazole;methane;1-methylimidazole;4-methyl-1H-1,2,4-triazol-5-one;1,2,4-oxadiazol-3-amine;4H-1,2,4-oxadiazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole with MolForge

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Related Compounds

1,4-dimethylimidazole;3,4-dimethyl-1H-1,2,4-triazol-5-one;methane;3-methyl-1,4-dihydro-1,2,4-triazol-5-one;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;1-methylpyrrolidine;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole
CID 158690696
Acetic acid;di(imidazol-1-yl)methanone;bis(3,5-dimethyl-1,2-oxazole);hydroxylamine;1-imidazol-1-ylethanone;pentane-2,4-dione;propan-2-one
CID 158804922
1,4-dihydro-1,2,4-triazol-5-one;ethane;1H-imidazole;methane;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;4-methyl-1H-1,2,4-triazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole
CID 159893863
1,4-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;methane;1,4,5-trimethylimidazole
CID 160854393

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydro-1,2,4-triazol-5-one;3,5-dimethyl-1,2-oxazole;ethane;1H-imidazole;methane;1-methylimidazole;4-methyl-1H-1,2,4-triazol-5-one;1,2,4-oxadiazol-3-amine;4H-1,2,4-oxadiazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole?
The IUPAC name of 1,4-dihydro-1,2,4-triazol-5-one;3,5-dimethyl-1,2-oxazole;ethane;1H-imidazole;methane;1-methylimidazole;4-methyl-1H-1,2,4-triazol-5-one;1,2,4-oxadiazol-3-amine;4H-1,2,4-oxadiazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole (CID 157455830) is 1,4-dihydro-1,2,4-triazol-5-one;3,5-dimethyl-1,2-oxazole;ethane;1H-imidazole;methane;1-methylimidazole;4-methyl-1H-1,2,4-triazol-5-one;1,2,4-oxadiazol-3-amine;4H-1,2,4-oxadiazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole.
What is the SMILES notation for 1,4-dihydro-1,2,4-triazol-5-one;3,5-dimethyl-1,2-oxazole;ethane;1H-imidazole;methane;1-methylimidazole;4-methyl-1H-1,2,4-triazol-5-one;1,2,4-oxadiazol-3-amine;4H-1,2,4-oxadiazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole?
The canonical SMILES for 1,4-dihydro-1,2,4-triazol-5-one;3,5-dimethyl-1,2-oxazole;ethane;1H-imidazole;methane;1-methylimidazole;4-methyl-1H-1,2,4-triazol-5-one;1,2,4-oxadiazol-3-amine;4H-1,2,4-oxadiazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole is C.C.C.C.C.C.C.C.C.C.C1CCNC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc(C)on1.Cn1ccnc1.Cn1cn[nH]c1=O.Nc1ncon1.O=c1[nH]cn[nH]1.O=c1[nH]cno1.c1c[nH]cn1.c1nc[nH]n1.c1nn[nH]n1.
What is the InChIKey of 1,4-dihydro-1,2,4-triazol-5-one;3,5-dimethyl-1,2-oxazole;ethane;1H-imidazole;methane;1-methylimidazole;4-methyl-1H-1,2,4-triazol-5-one;1,2,4-oxadiazol-3-amine;4H-1,2,4-oxadiazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole?
The InChIKey is BTIOLNBJHZFQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.C4H6N2.C4H9N.C3H5N3O.C3H4N2.2C2H3N3O.C2H3N3.C2H2N2O2.10C2H6.CH2N4.10CH4/c1-4-3-5(2)7-6-4;1-6-3-2-5-4-6;1-2-4-5-3-1;1-6-2-4-5-3(6)7;1-2-5-3-4-1;3-2-4-1-6-5-2;6-2-3-1-4-5-2;1-3-2-5-4-1;5-2-3-1-4-6-2;10*1-2;1-2-4-5-3-1;;;;;;;;;;/h3H,1-2H3;2-4H,1H3;5H,1-4H2;2H,1H3,(H,5,7);1-3H,(H,4,5);1H,(H2,3,5);1H,(H2,3,4,5,6);1-2H,(H,3,4,5);1H,(H,3,4,5);10*1-2H3;1H,(H,2,3,4,5);10*1H4.
What are the key properties of 1,4-dihydro-1,2,4-triazol-5-one;3,5-dimethyl-1,2-oxazole;ethane;1H-imidazole;methane;1-methylimidazole;4-methyl-1H-1,2,4-triazol-5-one;1,2,4-oxadiazol-3-amine;4H-1,2,4-oxadiazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole?
1,4-dihydro-1,2,4-triazol-5-one;3,5-dimethyl-1,2-oxazole;ethane;1H-imidazole;methane;1-methylimidazole;4-methyl-1H-1,2,4-triazol-5-one;1,2,4-oxadiazol-3-amine;4H-1,2,4-oxadiazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole has a molecular weight of 1273.95 g/mol, XLogP of 15.34, 0 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydro-1,2,4-triazol-5-one;3,5-dimethyl-1,2-oxazole;ethane;1H-imidazole;methane;1-methylimidazole;4-methyl-1H-1,2,4-triazol-5-one;1,2,4-oxadiazol-3-amine;4H-1,2,4-oxadiazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole is sourced from PubChem (CID 157455830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).