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

C69H151N15OS — CID 158109582

IUPAC4,5-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
SMILESC1=NCCC1.C1=NCCN1.C1=NCCO1.C1=NCCS1.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.C3H5NS.18C2H6/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;18*1-2/h1-5H;3*1-4H;3H,1-2,4H2;1-3H;3H,1-2H2,(H,4,5);2*3H,1-2H2;18*1-2H3
InChIKeyFQGKBFHTLRVNMI-UHFFFAOYSA-N
MW1239.14 g/mol
LogP22.13
Rot. Bonds

About 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

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 (PubChem CID 158109582) has the molecular formula C69H151N15OS and a molecular weight of 1239.14 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-1,3-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-1,3-thiazole;ethane;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine
PubChem CID158109582
Molecular FormulaC69H151N15OS
Molecular Weight1239.14 g/mol
Exact Mass1238.19
IUPAC Name4,5-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
SMILESC1=NCCC1.C1=NCCN1.C1=NCCO1.C1=NCCS1.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.C3H5NS.18C2H6/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;18*1-2/h1-5H;3*1-4H;3H,1-2,4H2;1-3H;3H,1-2H2,(H,4,5);2*3H,1-2H2;18*1-2H3
InChIKeyFQGKBFHTLRVNMI-UHFFFAOYSA-N
XLogP22.13
TPSA199.60 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001239.14
LogP ≤ 522.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 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 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-1,3-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-1,3-thiazole;ethane;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine (CID 158109582) is 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.
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-1,3-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-1,3-thiazole;ethane;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine is C1=NCCC1.C1=NCCN1.C1=NCCO1.C1=NCCS1.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-1,3-thiazole;ethane;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine?
The InChIKey is FQGKBFHTLRVNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.3C4H4N2.C4H7N.C3H3N3.C3H6N2.C3H5NO.C3H5NS.18C2H6/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;18*1-2/h1-5H;3*1-4H;3H,1-2,4H2;1-3H;3H,1-2H2,(H,4,5);2*3H,1-2H2;18*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-1,3-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-1,3-thiazole;ethane;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine has a molecular weight of 1239.14 g/mol, XLogP of 22.13, 0 rotatable bonds, 1 hydrogen bond donors, and 17 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-1,3-thiazole;ethane;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine is sourced from PubChem (CID 158109582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).