1H-imidazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-1,2,4-triazole

C29H32N14O — CID 161435164

IUPAC1H-imidazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-1,2,4-triazole
SMILESc1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1cocn1.c1nc[nH]n1
InChIInChI=1S/C5H5N.3C4H4N2.C4H5N.C3H4N2.C3H3NO.C2H3N3/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;2*1-2-5-3-4-1;1-3-2-5-4-1/h1-5H;3*1-4H;1-5H;1-3H,(H,4,5);1-3H;1-2H,(H,3,4,5)
InChIKeyVYNWTHJJNBFJAT-UHFFFAOYSA-N
MW592.67 g/mol
LogP4.42
Rot. Bonds

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

1H-imidazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-1,2,4-triazole (PubChem CID 161435164) has the molecular formula C29H32N14O and a molecular weight of 592.67 g/mol. Its IUPAC name is 1H-imidazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-1,2,4-triazole.

Molecular Properties

Compound Name1H-imidazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-1,2,4-triazole
PubChem CID161435164
Molecular FormulaC29H32N14O
Molecular Weight592.67 g/mol
Exact Mass592.29
IUPAC Name1H-imidazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-1,2,4-triazole
SMILESc1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1cocn1.c1nc[nH]n1
InChIInChI=1S/C5H5N.3C4H4N2.C4H5N.C3H4N2.C3H3NO.C2H3N3/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;2*1-2-5-3-4-1;1-3-2-5-4-1/h1-5H;3*1-4H;1-5H;1-3H,(H,4,5);1-3H;1-2H,(H,3,4,5)
InChIKeyVYNWTHJJNBFJAT-UHFFFAOYSA-N
XLogP4.42
TPSA202.30 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.67
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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Related Compounds

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CID 157049747
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CID 157434477
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CID 157705834
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CID 158078026
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;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
1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole
CID 159505004

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-1,2,4-triazole?
The IUPAC name of 1H-imidazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-1,2,4-triazole (CID 161435164) is 1H-imidazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-1,2,4-triazole.
What is the SMILES notation for 1H-imidazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-1,2,4-triazole?
The canonical SMILES for 1H-imidazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-1,2,4-triazole is c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1cocn1.c1nc[nH]n1.
What is the InChIKey of 1H-imidazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-1,2,4-triazole?
The InChIKey is VYNWTHJJNBFJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.3C4H4N2.C4H5N.C3H4N2.C3H3NO.C2H3N3/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;2*1-2-5-3-4-1;1-3-2-5-4-1/h1-5H;3*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;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-1,2,4-triazole?
1H-imidazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-1,2,4-triazole has a molecular weight of 592.67 g/mol, XLogP of 4.42, 0 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-1,2,4-triazole is sourced from PubChem (CID 161435164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).