4,5-dihydro-1,3-oxazole;4,5-dihydro-1,3-thiazole;ethane;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole

C101H240N26O2S2 — CID 158082971

IUPAC4,5-dihydro-1,3-oxazole;4,5-dihydro-1,3-thiazole;ethane;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
SMILESC1=NCCO1.C1=NCCS1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccncc1.c1ccnnc1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1nc[nH]n1.c1ncncn1.c1nn[nH]n1.c1nnco1.c1nncs1
InChIInChI=1S/C5H5N.3C4H4N2.C3H3N3.C3H5NO.C3H5NS.2C2H3N3.C2H2N2O.C2H2N2S.33C2H6.CH2N4/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;1-4-2-6-3-5-1;2*1-2-5-3-4-1;1-3-2-5-4-1;1-2-4-5-3-1;2*1-3-4-2-5-1;33*1-2;1-2-4-5-3-1/h1-5H;3*1-4H;1-3H;2*3H,1-2H2;2*1-2H,(H,3,4,5);2*1-2H;33*1-2H3;1H,(H,2,3,4,5)
InChIKeyFNEFWFSOUBPIAJ-UHFFFAOYSA-N
MW1915.34 g/mol
LogP36.47
Rot. Bonds

About 4,5-dihydro-1,3-oxazole;4,5-dihydro-1,3-thiazole;ethane;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole

4,5-dihydro-1,3-oxazole;4,5-dihydro-1,3-thiazole;ethane;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole (PubChem CID 158082971) has the molecular formula C101H240N26O2S2 and a molecular weight of 1915.34 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazole;4,5-dihydro-1,3-thiazole;ethane;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazole;4,5-dihydro-1,3-thiazole;ethane;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
PubChem CID158082971
Molecular FormulaC101H240N26O2S2
Molecular Weight1915.34 g/mol
Exact Mass1913.89
IUPAC Name4,5-dihydro-1,3-oxazole;4,5-dihydro-1,3-thiazole;ethane;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
SMILESC1=NCCO1.C1=NCCS1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccncc1.c1ccnnc1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1nc[nH]n1.c1ncncn1.c1nn[nH]n1.c1nnco1.c1nncs1
InChIInChI=1S/C5H5N.3C4H4N2.C3H3N3.C3H5NO.C3H5NS.2C2H3N3.C2H2N2O.C2H2N2S.33C2H6.CH2N4/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;1-4-2-6-3-5-1;2*1-2-5-3-4-1;1-3-2-5-4-1;1-2-4-5-3-1;2*1-3-4-2-5-1;33*1-2;1-2-4-5-3-1/h1-5H;3*1-4H;1-3H;2*3H,1-2H2;2*1-2H,(H,3,4,5);2*1-2H;33*1-2H3;1H,(H,2,3,4,5)
InChIKeyFNEFWFSOUBPIAJ-UHFFFAOYSA-N
XLogP36.47
TPSA365.15 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001915.34
LogP ≤ 536.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze 4,5-dihydro-1,3-oxazole;4,5-dihydro-1,3-thiazole;ethane;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole with MolForge

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Related Compounds

4,5-dihydro-1H-imidazole;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;4,5-dihydro-1,2-thiazole;4,5-dihydro-1,3-thiazole;ethane;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine
CID 157314811
benzene;ethane;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole)
CID 157866427
4,5-dihydro-1H-imidazole;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;4,5-dihydro-1,3-thiazole;ethane;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine
CID 158109582
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);pyrazine;1H-pyrazole;pyridazine;tris(pyridine);bis(pyrimidine);1H-pyrrole;2H-tetrazole;bis(thiadiazole);1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole
CID 159515777
ethane;1,2,4-oxadiazole;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1H-1,2,4-triazole)
CID 160466070
ethane;1,3,4-oxadiazole;1H-pyrazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole)
CID 160583184
1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,4-thiadiazole;1,3,5-triazine;2H-triazole
CID 160584065
ethane;1,2,4-oxadiazole;1,3,4-oxadiazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1H-1,2,4-triazole;bis(2H-triazole)
CID 160929089
1-methyl-2,5-dihydropyrrole;tris(1-methylimidazole);4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrazole;bis(1-methyl-2H-pyridine);bis(1-methylpyridin-1-ium);bis(1-methylpyrrole)
CID 161930834
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
tris(2,2-dimethylpropane);1H-imidazole;hexakis(2-methylpropane);morpholine;oxane;piperidine;1H-pyrazole;pyridine;pyrimidine;1H-1,2,4-triazole;2H-triazole
CID 162173568

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-oxazole;4,5-dihydro-1,3-thiazole;ethane;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?
The IUPAC name of 4,5-dihydro-1,3-oxazole;4,5-dihydro-1,3-thiazole;ethane;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole (CID 158082971) is 4,5-dihydro-1,3-oxazole;4,5-dihydro-1,3-thiazole;ethane;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole.
What is the SMILES notation for 4,5-dihydro-1,3-oxazole;4,5-dihydro-1,3-thiazole;ethane;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?
The canonical SMILES for 4,5-dihydro-1,3-oxazole;4,5-dihydro-1,3-thiazole;ethane;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole is C1=NCCO1.C1=NCCS1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccncc1.c1ccnnc1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1nc[nH]n1.c1ncncn1.c1nn[nH]n1.c1nnco1.c1nncs1.
What is the InChIKey of 4,5-dihydro-1,3-oxazole;4,5-dihydro-1,3-thiazole;ethane;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?
The InChIKey is FNEFWFSOUBPIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.3C4H4N2.C3H3N3.C3H5NO.C3H5NS.2C2H3N3.C2H2N2O.C2H2N2S.33C2H6.CH2N4/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;1-4-2-6-3-5-1;2*1-2-5-3-4-1;1-3-2-5-4-1;1-2-4-5-3-1;2*1-3-4-2-5-1;33*1-2;1-2-4-5-3-1/h1-5H;3*1-4H;1-3H;2*3H,1-2H2;2*1-2H,(H,3,4,5);2*1-2H;33*1-2H3;1H,(H,2,3,4,5).
What are the key properties of 4,5-dihydro-1,3-oxazole;4,5-dihydro-1,3-thiazole;ethane;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?
4,5-dihydro-1,3-oxazole;4,5-dihydro-1,3-thiazole;ethane;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole has a molecular weight of 1915.34 g/mol, XLogP of 36.47, 0 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-oxazole;4,5-dihydro-1,3-thiazole;ethane;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 158082971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).