1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole

C22H33N17O — CID 159505004

IUPAC1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole
SMILESC1CCNC1.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cn[nH]n1.c1cocn1.c1nc[nH]n1.c1nn[nH]n1
InChIInChI=1S/C4H9N.C4H5N.2C3H4N2.C3H3NO.2C2H3N3.CH2N4/c2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;2*1-2-4-5-3-1/h5H,1-4H2;1-5H;2*1-3H,(H,4,5);1-3H;2*1-2H,(H,3,4,5);1H,(H,2,3,4,5)
InChIKeyLZWILQNWSHRWIV-UHFFFAOYSA-N
MW551.62 g/mol
LogP1.69
Rot. Bonds

About 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole

1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole (PubChem CID 159505004) has the molecular formula C22H33N17O and a molecular weight of 551.62 g/mol. Its IUPAC name is 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole.

Molecular Properties

Compound Name1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole
PubChem CID159505004
Molecular FormulaC22H33N17O
Molecular Weight551.62 g/mol
Exact Mass551.31
IUPAC Name1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole
SMILESC1CCNC1.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cn[nH]n1.c1cocn1.c1nc[nH]n1.c1nn[nH]n1
InChIInChI=1S/C4H9N.C4H5N.2C3H4N2.C3H3NO.2C2H3N3.CH2N4/c2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;2*1-2-4-5-3-1/h5H,1-4H2;1-5H;2*1-3H,(H,4,5);1-3H;2*1-2H,(H,3,4,5);1H,(H,2,3,4,5)
InChIKeyLZWILQNWSHRWIV-UHFFFAOYSA-N
XLogP1.69
TPSA248.81 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500551.62
LogP ≤ 51.69
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

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Related Compounds

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CID 157098466
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CID 157469824
nonakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
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CID 158531802
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
furan;1H-imidazole;methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole
CID 158705543

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole?
The IUPAC name of 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole (CID 159505004) is 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole.
What is the SMILES notation for 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole?
The canonical SMILES for 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole is C1CCNC1.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cn[nH]n1.c1cocn1.c1nc[nH]n1.c1nn[nH]n1.
What is the InChIKey of 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole?
The InChIKey is LZWILQNWSHRWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C4H5N.2C3H4N2.C3H3NO.2C2H3N3.CH2N4/c2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;2*1-2-4-5-3-1/h5H,1-4H2;1-5H;2*1-3H,(H,4,5);1-3H;2*1-2H,(H,3,4,5);1H,(H,2,3,4,5).
What are the key properties of 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole?
1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole has a molecular weight of 551.62 g/mol, XLogP of 1.69, 0 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 159505004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).