2,4-di(imidazol-1-yl)-6-pyrrol-1-yl-1,3,5-triazine

C13H10N8 — CID 144765762

IUPAC2,4-di(imidazol-1-yl)-6-pyrrol-1-yl-1,3,5-triazine
SMILESc1ccn(-c2nc(-n3ccnc3)nc(-n3ccnc3)n2)c1
InChIInChI=1S/C13H10N8/c1-2-6-19(5-1)11-16-12(20-7-3-14-9-20)18-13(17-11)21-8-4-15-10-21/h1-10H
InChIKeyZPGTUEPLUVNTAH-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.03
Rot. Bonds3

About 2,4-di(imidazol-1-yl)-6-pyrrol-1-yl-1,3,5-triazine

2,4-di(imidazol-1-yl)-6-pyrrol-1-yl-1,3,5-triazine (PubChem CID 144765762) has the molecular formula C13H10N8 and a molecular weight of 278.28 g/mol. Its IUPAC name is 2,4-di(imidazol-1-yl)-6-pyrrol-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-di(imidazol-1-yl)-6-pyrrol-1-yl-1,3,5-triazine
PubChem CID144765762
Molecular FormulaC13H10N8
Molecular Weight278.28 g/mol
Exact Mass278.10
IUPAC Name2,4-di(imidazol-1-yl)-6-pyrrol-1-yl-1,3,5-triazine
SMILESc1ccn(-c2nc(-n3ccnc3)nc(-n3ccnc3)n2)c1
InChIInChI=1S/C13H10N8/c1-2-6-19(5-1)11-16-12(20-7-3-14-9-20)18-13(17-11)21-8-4-15-10-21/h1-10H
InChIKeyZPGTUEPLUVNTAH-UHFFFAOYSA-N
XLogP1.03
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(imidazol-1-yl)-6-pyrrol-1-yl-1,3,5-triazine?
The IUPAC name of 2,4-di(imidazol-1-yl)-6-pyrrol-1-yl-1,3,5-triazine (CID 144765762) is 2,4-di(imidazol-1-yl)-6-pyrrol-1-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-di(imidazol-1-yl)-6-pyrrol-1-yl-1,3,5-triazine?
The canonical SMILES for 2,4-di(imidazol-1-yl)-6-pyrrol-1-yl-1,3,5-triazine is c1ccn(-c2nc(-n3ccnc3)nc(-n3ccnc3)n2)c1.
What is the InChIKey of 2,4-di(imidazol-1-yl)-6-pyrrol-1-yl-1,3,5-triazine?
The InChIKey is ZPGTUEPLUVNTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N8/c1-2-6-19(5-1)11-16-12(20-7-3-14-9-20)18-13(17-11)21-8-4-15-10-21/h1-10H.
What are the key properties of 2,4-di(imidazol-1-yl)-6-pyrrol-1-yl-1,3,5-triazine?
2,4-di(imidazol-1-yl)-6-pyrrol-1-yl-1,3,5-triazine has a molecular weight of 278.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(imidazol-1-yl)-6-pyrrol-1-yl-1,3,5-triazine is sourced from PubChem (CID 144765762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).