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

C76H168N16OS2 — CID 157314811

IUPAC4,5-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
SMILESC1=NCCC1.C1=NCCN1.C1=NCCO1.C1=NCCS1.C1=NSCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1ncncn1
InChIInChI=1S/C5H5N.3C4H4N2.C4H7N.C3H3N3.C3H6N2.C3H5NO.2C3H5NS.20C2H6/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;1-2-4-5-3-1;1-4-2-6-3-5-1;3*1-2-5-3-4-1;1-2-4-5-3-1;20*1-2/h1-5H;3*1-4H;3H,1-2,4H2;1-3H;3H,1-2H2,(H,4,5);2*3H,1-2H2;2H,1,3H2;20*1-2H3
InChIKeyBDLUUHLGYVCVOI-UHFFFAOYSA-N
MW1386.42 g/mol
LogP25.29
Rot. Bonds

About 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

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 (PubChem CID 157314811) has the molecular formula C76H168N16OS2 and a molecular weight of 1386.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,5-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
PubChem CID157314811
Molecular FormulaC76H168N16OS2
Molecular Weight1386.42 g/mol
Exact Mass1385.30
IUPAC Name4,5-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
SMILESC1=NCCC1.C1=NCCN1.C1=NCCO1.C1=NCCS1.C1=NSCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1ncncn1
InChIInChI=1S/C5H5N.3C4H4N2.C4H7N.C3H3N3.C3H6N2.C3H5NO.2C3H5NS.20C2H6/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;1-2-4-5-3-1;1-4-2-6-3-5-1;3*1-2-5-3-4-1;1-2-4-5-3-1;20*1-2/h1-5H;3*1-4H;3H,1-2,4H2;1-3H;3H,1-2H2,(H,4,5);2*3H,1-2H2;2H,1,3H2;20*1-2H3
InChIKeyBDLUUHLGYVCVOI-UHFFFAOYSA-N
XLogP25.29
TPSA211.96 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001386.42
LogP ≤ 525.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=NCCC1.C1=NCCN1.C1=NCCO1.C1=NCCS1.C1=NSCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1ncncn1.
What is the InChIKey of 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?
The InChIKey is BDLUUHLGYVCVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.3C4H4N2.C4H7N.C3H3N3.C3H6N2.C3H5NO.2C3H5NS.20C2H6/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;1-2-4-5-3-1;1-4-2-6-3-5-1;3*1-2-5-3-4-1;1-2-4-5-3-1;20*1-2/h1-5H;3*1-4H;3H,1-2,4H2;1-3H;3H,1-2H2,(H,4,5);2*3H,1-2H2;2H,1,3H2;20*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1386.42 g/mol, XLogP of 25.29, 0 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157314811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).