5-methyl-2,3,5,6,7,7a-hexahydro-1H-imidazo[1,5-c]imidazole

C6H13N3 — CID 67975716

IUPAC5-methyl-2,3,5,6,7,7a-hexahydro-1H-imidazo[1,5-c]imidazole
SMILESCC1NCC2CNCN21
InChIInChI=1S/C6H13N3/c1-5-8-3-6-2-7-4-9(5)6/h5-8H,2-4H2,1H3
InChIKeyMVFRXXSIJGJYQR-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.83
Rot. Bonds

About 5-methyl-2,3,5,6,7,7a-hexahydro-1H-imidazo[1,5-c]imidazole

5-methyl-2,3,5,6,7,7a-hexahydro-1H-imidazo[1,5-c]imidazole (PubChem CID 67975716) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 5-methyl-2,3,5,6,7,7a-hexahydro-1H-imidazo[1,5-c]imidazole.

Molecular Properties

Compound Name5-methyl-2,3,5,6,7,7a-hexahydro-1H-imidazo[1,5-c]imidazole
PubChem CID67975716
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name5-methyl-2,3,5,6,7,7a-hexahydro-1H-imidazo[1,5-c]imidazole
SMILESCC1NCC2CNCN21
InChIInChI=1S/C6H13N3/c1-5-8-3-6-2-7-4-9(5)6/h5-8H,2-4H2,1H3
InChIKeyMVFRXXSIJGJYQR-UHFFFAOYSA-N
XLogP-0.83
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3,5,6,7,7a-hexahydro-1H-imidazo[1,5-c]imidazole?
The IUPAC name of 5-methyl-2,3,5,6,7,7a-hexahydro-1H-imidazo[1,5-c]imidazole (CID 67975716) is 5-methyl-2,3,5,6,7,7a-hexahydro-1H-imidazo[1,5-c]imidazole.
What is the SMILES notation for 5-methyl-2,3,5,6,7,7a-hexahydro-1H-imidazo[1,5-c]imidazole?
The canonical SMILES for 5-methyl-2,3,5,6,7,7a-hexahydro-1H-imidazo[1,5-c]imidazole is CC1NCC2CNCN21.
What is the InChIKey of 5-methyl-2,3,5,6,7,7a-hexahydro-1H-imidazo[1,5-c]imidazole?
The InChIKey is MVFRXXSIJGJYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-5-8-3-6-2-7-4-9(5)6/h5-8H,2-4H2,1H3.
What are the key properties of 5-methyl-2,3,5,6,7,7a-hexahydro-1H-imidazo[1,5-c]imidazole?
5-methyl-2,3,5,6,7,7a-hexahydro-1H-imidazo[1,5-c]imidazole has a molecular weight of 127.19 g/mol, XLogP of -0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3,5,6,7,7a-hexahydro-1H-imidazo[1,5-c]imidazole is sourced from PubChem (CID 67975716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).