1H-imidazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;1H-1,2,4-triazole

C30H33N13O — CID 161141497

IUPAC1H-imidazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;1H-1,2,4-triazole
SMILESc1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccncc1.c1cnccn1.c1cncnc1.c1cocn1.c1nc[nH]n1
InChIInChI=1S/2C5H5N.2C4H4N2.C4H5N.C3H4N2.C3H3NO.C2H3N3/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-2-5-4-1/h2*1-5H;2*1-4H;1-5H;1-3H,(H,4,5);1-3H;1-2H,(H,3,4,5)
InChIKeyUNMVALHVRFHGBA-UHFFFAOYSA-N
MW591.68 g/mol
LogP5.02
Rot. Bonds

About 1H-imidazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;1H-1,2,4-triazole

1H-imidazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;1H-1,2,4-triazole (PubChem CID 161141497) has the molecular formula C30H33N13O and a molecular weight of 591.68 g/mol. Its IUPAC name is 1H-imidazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;1H-1,2,4-triazole.

Molecular Properties

Compound Name1H-imidazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;1H-1,2,4-triazole
PubChem CID161141497
Molecular FormulaC30H33N13O
Molecular Weight591.68 g/mol
Exact Mass591.29
IUPAC Name1H-imidazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;1H-1,2,4-triazole
SMILESc1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccncc1.c1cnccn1.c1cncnc1.c1cocn1.c1nc[nH]n1
InChIInChI=1S/2C5H5N.2C4H4N2.C4H5N.C3H4N2.C3H3NO.C2H3N3/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-2-5-4-1/h2*1-5H;2*1-4H;1-5H;1-3H,(H,4,5);1-3H;1-2H,(H,3,4,5)
InChIKeyUNMVALHVRFHGBA-UHFFFAOYSA-N
XLogP5.02
TPSA189.41 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500591.68
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 1H-imidazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;1H-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-imidazole;1,3-oxazole;pyrazine;bis(1H-pyrazole);pyridine;pyrimidine;1,3-thiazole;bis(1H-1,2,4-triazole)
CID 157434477
1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-triazole
CID 157705834
1H-imidazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole
CID 158204700
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
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;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole;1,3,5-triazine
CID 158682412
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
1H-imidazole;heptakis(2-methylpropane);1,3-oxazole;1H-pyrazole;pyridine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole
CID 160238164

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;1H-1,2,4-triazole?
The IUPAC name of 1H-imidazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;1H-1,2,4-triazole (CID 161141497) is 1H-imidazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;1H-1,2,4-triazole.
What is the SMILES notation for 1H-imidazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;1H-1,2,4-triazole?
The canonical SMILES for 1H-imidazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;1H-1,2,4-triazole is c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccncc1.c1cnccn1.c1cncnc1.c1cocn1.c1nc[nH]n1.
What is the InChIKey of 1H-imidazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;1H-1,2,4-triazole?
The InChIKey is UNMVALHVRFHGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5N.2C4H4N2.C4H5N.C3H4N2.C3H3NO.C2H3N3/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-2-5-4-1/h2*1-5H;2*1-4H;1-5H;1-3H,(H,4,5);1-3H;1-2H,(H,3,4,5).
What are the key properties of 1H-imidazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;1H-1,2,4-triazole?
1H-imidazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;1H-1,2,4-triazole has a molecular weight of 591.68 g/mol, XLogP of 5.02, 0 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;1H-1,2,4-triazole is sourced from PubChem (CID 161141497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).