1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole

C4H6N4 — CID 86228752

IUPAC1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole
SMILESC1=NC2N=CNC2N1
InChIInChI=1S/C4H6N4/c1-5-3-4(6-1)8-2-7-3/h1-4H,(H,5,6)(H,7,8)
InChIKeyNEKAQDIDOPULSQ-UHFFFAOYSA-N
MW110.12 g/mol
LogP-1.10
Rot. Bonds

About 1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole

1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole (PubChem CID 86228752) has the molecular formula C4H6N4 and a molecular weight of 110.12 g/mol. Its IUPAC name is 1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole.

Molecular Properties

Compound Name1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole
PubChem CID86228752
Molecular FormulaC4H6N4
Molecular Weight110.12 g/mol
Exact Mass110.06
IUPAC Name1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole
SMILESC1=NC2N=CNC2N1
InChIInChI=1S/C4H6N4/c1-5-3-4(6-1)8-2-7-3/h1-4H,(H,5,6)(H,7,8)
InChIKeyNEKAQDIDOPULSQ-UHFFFAOYSA-N
XLogP-1.10
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole?
The IUPAC name of 1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole (CID 86228752) is 1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole.
What is the SMILES notation for 1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole?
The canonical SMILES for 1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole is C1=NC2N=CNC2N1.
What is the InChIKey of 1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole?
The InChIKey is NEKAQDIDOPULSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4/c1-5-3-4(6-1)8-2-7-3/h1-4H,(H,5,6)(H,7,8).
What are the key properties of 1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole?
1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole has a molecular weight of 110.12 g/mol, XLogP of -1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole is sourced from PubChem (CID 86228752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).