1H-imidazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole

C25H28N12O — CID 158204700

IUPAC1H-imidazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole
SMILESc1c[nH]cn1.c1cc[nH]c1.c1ccnnc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cocn1
InChIInChI=1S/3C4H4N2.C4H5N.2C3H4N2.C3H3NO/c1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h3*1-4H;1-5H;2*1-3H,(H,4,5);1-3H
InChIKeyGBIWFJWWCXDFEJ-UHFFFAOYSA-N
MW512.58 g/mol
LogP3.94
Rot. Bonds

About 1H-imidazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole

1H-imidazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole (PubChem CID 158204700) has the molecular formula C25H28N12O and a molecular weight of 512.58 g/mol. Its IUPAC name is 1H-imidazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole.

Molecular Properties

Compound Name1H-imidazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole
PubChem CID158204700
Molecular FormulaC25H28N12O
Molecular Weight512.58 g/mol
Exact Mass512.25
IUPAC Name1H-imidazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole
SMILESc1c[nH]cn1.c1cc[nH]c1.c1ccnnc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cocn1
InChIInChI=1S/3C4H4N2.C4H5N.2C3H4N2.C3H3NO/c1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h3*1-4H;1-5H;2*1-3H,(H,4,5);1-3H
InChIKeyGBIWFJWWCXDFEJ-UHFFFAOYSA-N
XLogP3.94
TPSA176.52 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.58
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 68753727
1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole
CID 69716711
bis(1H-imidazole);1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrole
CID 158996040
bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole
CID 159334964
1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole
CID 159505004
bis(1H-imidazole);1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole
CID 161008414
1H-imidazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;1H-1,2,4-triazole
CID 161141497
1H-imidazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-1,2,4-triazole
CID 161435164
1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-1,2,4-triazole
CID 172815836

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole?
The IUPAC name of 1H-imidazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole (CID 158204700) is 1H-imidazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole.
What is the SMILES notation for 1H-imidazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole?
The canonical SMILES for 1H-imidazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole is c1c[nH]cn1.c1cc[nH]c1.c1ccnnc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cocn1.
What is the InChIKey of 1H-imidazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole?
The InChIKey is GBIWFJWWCXDFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H4N2.C4H5N.2C3H4N2.C3H3NO/c1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h3*1-4H;1-5H;2*1-3H,(H,4,5);1-3H.
What are the key properties of 1H-imidazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole?
1H-imidazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole has a molecular weight of 512.58 g/mol, XLogP of 3.94, 0 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole is sourced from PubChem (CID 158204700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).