1,3-dimethyl-6-piperazin-1-yl-7H-imidazo[1,5-c]imidazol-5-one

C11H17N5O — CID 23138151

IUPAC1,3-dimethyl-6-piperazin-1-yl-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1nc(C)n2c1CN(N1CCNCC1)C2=O
InChIInChI=1S/C11H17N5O/c1-8-10-7-15(14-5-3-12-4-6-14)11(17)16(10)9(2)13-8/h12H,3-7H2,1-2H3
InChIKeyAUIJZGJQDLMQLP-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.10
Rot. Bonds1

About 1,3-dimethyl-6-piperazin-1-yl-7H-imidazo[1,5-c]imidazol-5-one

1,3-dimethyl-6-piperazin-1-yl-7H-imidazo[1,5-c]imidazol-5-one (PubChem CID 23138151) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1,3-dimethyl-6-piperazin-1-yl-7H-imidazo[1,5-c]imidazol-5-one.

Molecular Properties

Compound Name1,3-dimethyl-6-piperazin-1-yl-7H-imidazo[1,5-c]imidazol-5-one
PubChem CID23138151
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1,3-dimethyl-6-piperazin-1-yl-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1nc(C)n2c1CN(N1CCNCC1)C2=O
InChIInChI=1S/C11H17N5O/c1-8-10-7-15(14-5-3-12-4-6-14)11(17)16(10)9(2)13-8/h12H,3-7H2,1-2H3
InChIKeyAUIJZGJQDLMQLP-UHFFFAOYSA-N
XLogP0.10
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-piperazin-1-yl-7H-imidazo[1,5-c]imidazol-5-one?
The IUPAC name of 1,3-dimethyl-6-piperazin-1-yl-7H-imidazo[1,5-c]imidazol-5-one (CID 23138151) is 1,3-dimethyl-6-piperazin-1-yl-7H-imidazo[1,5-c]imidazol-5-one.
What is the SMILES notation for 1,3-dimethyl-6-piperazin-1-yl-7H-imidazo[1,5-c]imidazol-5-one?
The canonical SMILES for 1,3-dimethyl-6-piperazin-1-yl-7H-imidazo[1,5-c]imidazol-5-one is Cc1nc(C)n2c1CN(N1CCNCC1)C2=O.
What is the InChIKey of 1,3-dimethyl-6-piperazin-1-yl-7H-imidazo[1,5-c]imidazol-5-one?
The InChIKey is AUIJZGJQDLMQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-8-10-7-15(14-5-3-12-4-6-14)11(17)16(10)9(2)13-8/h12H,3-7H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-piperazin-1-yl-7H-imidazo[1,5-c]imidazol-5-one?
1,3-dimethyl-6-piperazin-1-yl-7H-imidazo[1,5-c]imidazol-5-one has a molecular weight of 235.29 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-piperazin-1-yl-7H-imidazo[1,5-c]imidazol-5-one is sourced from PubChem (CID 23138151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).