1H-imidazole;1H-pyrazole;pyrrolidine;2H-triazole

C12H20N8 — CID 69343201

IUPAC1H-imidazole;1H-pyrazole;pyrrolidine;2H-triazole
SMILESC1CCNC1.c1c[nH]cn1.c1cn[nH]c1.c1cn[nH]n1
InChIInChI=1S/C4H9N.2C3H4N2.C2H3N3/c1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1/h5H,1-4H2;2*1-3H,(H,4,5);1-2H,(H,3,4,5)
InChIKeyXMNKMMLAKZZSKY-UHFFFAOYSA-N
MW276.35 g/mol
LogP0.99
Rot. Bonds

About 1H-imidazole;1H-pyrazole;pyrrolidine;2H-triazole

1H-imidazole;1H-pyrazole;pyrrolidine;2H-triazole (PubChem CID 69343201) has the molecular formula C12H20N8 and a molecular weight of 276.35 g/mol. Its IUPAC name is 1H-imidazole;1H-pyrazole;pyrrolidine;2H-triazole.

Molecular Properties

Compound Name1H-imidazole;1H-pyrazole;pyrrolidine;2H-triazole
PubChem CID69343201
Molecular FormulaC12H20N8
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name1H-imidazole;1H-pyrazole;pyrrolidine;2H-triazole
SMILESC1CCNC1.c1c[nH]cn1.c1cn[nH]c1.c1cn[nH]n1
InChIInChI=1S/C4H9N.2C3H4N2.C2H3N3/c1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1/h5H,1-4H2;2*1-3H,(H,4,5);1-2H,(H,3,4,5)
InChIKeyXMNKMMLAKZZSKY-UHFFFAOYSA-N
XLogP0.99
TPSA110.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1H-pyrazole;pyrrolidine;2H-triazole?
The IUPAC name of 1H-imidazole;1H-pyrazole;pyrrolidine;2H-triazole (CID 69343201) is 1H-imidazole;1H-pyrazole;pyrrolidine;2H-triazole.
What is the SMILES notation for 1H-imidazole;1H-pyrazole;pyrrolidine;2H-triazole?
The canonical SMILES for 1H-imidazole;1H-pyrazole;pyrrolidine;2H-triazole is C1CCNC1.c1c[nH]cn1.c1cn[nH]c1.c1cn[nH]n1.
What is the InChIKey of 1H-imidazole;1H-pyrazole;pyrrolidine;2H-triazole?
The InChIKey is XMNKMMLAKZZSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.2C3H4N2.C2H3N3/c1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1/h5H,1-4H2;2*1-3H,(H,4,5);1-2H,(H,3,4,5).
What are the key properties of 1H-imidazole;1H-pyrazole;pyrrolidine;2H-triazole?
1H-imidazole;1H-pyrazole;pyrrolidine;2H-triazole has a molecular weight of 276.35 g/mol, XLogP of 0.99, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1H-pyrazole;pyrrolidine;2H-triazole is sourced from PubChem (CID 69343201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).