di(imidazol-1-yl)methanone;pyrrol-1-yl(1,2,4-triazol-4-yl)methanone

C14H12N8O2 — CID 160726902

IUPACdi(imidazol-1-yl)methanone;pyrrol-1-yl(1,2,4-triazol-4-yl)methanone
SMILESO=C(n1cccc1)n1cnnc1.O=C(n1ccnc1)n1ccnc1
InChIInChI=1S/2C7H6N4O/c12-7(10-3-1-8-5-10)11-4-2-9-6-11;12-7(10-3-1-2-4-10)11-5-8-9-6-11/h2*1-6H
InChIKeyRTVFKMAFWJEIEW-UHFFFAOYSA-N
MW324.30 g/mol
LogP1.19
Rot. Bonds

About di(imidazol-1-yl)methanone;pyrrol-1-yl(1,2,4-triazol-4-yl)methanone

di(imidazol-1-yl)methanone;pyrrol-1-yl(1,2,4-triazol-4-yl)methanone (PubChem CID 160726902) has the molecular formula C14H12N8O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is di(imidazol-1-yl)methanone;pyrrol-1-yl(1,2,4-triazol-4-yl)methanone.

Molecular Properties

Compound Namedi(imidazol-1-yl)methanone;pyrrol-1-yl(1,2,4-triazol-4-yl)methanone
PubChem CID160726902
Molecular FormulaC14H12N8O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Namedi(imidazol-1-yl)methanone;pyrrol-1-yl(1,2,4-triazol-4-yl)methanone
SMILESO=C(n1cccc1)n1cnnc1.O=C(n1ccnc1)n1ccnc1
InChIInChI=1S/2C7H6N4O/c12-7(10-3-1-8-5-10)11-4-2-9-6-11;12-7(10-3-1-2-4-10)11-5-8-9-6-11/h2*1-6H
InChIKeyRTVFKMAFWJEIEW-UHFFFAOYSA-N
XLogP1.19
TPSA105.42 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

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1,6-di(imidazol-1-yl)hexane-1,6-dione
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S-methyl imidazole-1-carbothioate
CID 59105486
imidazol-1-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of di(imidazol-1-yl)methanone;pyrrol-1-yl(1,2,4-triazol-4-yl)methanone?
The IUPAC name of di(imidazol-1-yl)methanone;pyrrol-1-yl(1,2,4-triazol-4-yl)methanone (CID 160726902) is di(imidazol-1-yl)methanone;pyrrol-1-yl(1,2,4-triazol-4-yl)methanone.
What is the SMILES notation for di(imidazol-1-yl)methanone;pyrrol-1-yl(1,2,4-triazol-4-yl)methanone?
The canonical SMILES for di(imidazol-1-yl)methanone;pyrrol-1-yl(1,2,4-triazol-4-yl)methanone is O=C(n1cccc1)n1cnnc1.O=C(n1ccnc1)n1ccnc1.
What is the InChIKey of di(imidazol-1-yl)methanone;pyrrol-1-yl(1,2,4-triazol-4-yl)methanone?
The InChIKey is RTVFKMAFWJEIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6N4O/c12-7(10-3-1-8-5-10)11-4-2-9-6-11;12-7(10-3-1-2-4-10)11-5-8-9-6-11/h2*1-6H.
What are the key properties of di(imidazol-1-yl)methanone;pyrrol-1-yl(1,2,4-triazol-4-yl)methanone?
di(imidazol-1-yl)methanone;pyrrol-1-yl(1,2,4-triazol-4-yl)methanone has a molecular weight of 324.30 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for di(imidazol-1-yl)methanone;pyrrol-1-yl(1,2,4-triazol-4-yl)methanone is sourced from PubChem (CID 160726902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).