2-methyl-6-piperazin-1-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one

C10H17N5O — CID 68646570

IUPAC2-methyl-6-piperazin-1-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one
SMILESCN1C=C2C(=O)N(N3CCNCC3)CN2C1
InChIInChI=1S/C10H17N5O/c1-12-6-9-10(16)15(8-13(9)7-12)14-4-2-11-3-5-14/h6,11H,2-5,7-8H2,1H3
InChIKeyPCJHHGYCFYEFQX-UHFFFAOYSA-N
MW223.28 g/mol
LogP-1.35
Rot. Bonds1

About 2-methyl-6-piperazin-1-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one

2-methyl-6-piperazin-1-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one (PubChem CID 68646570) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methyl-6-piperazin-1-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one.

Molecular Properties

Compound Name2-methyl-6-piperazin-1-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one
PubChem CID68646570
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-methyl-6-piperazin-1-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one
SMILESCN1C=C2C(=O)N(N3CCNCC3)CN2C1
InChIInChI=1S/C10H17N5O/c1-12-6-9-10(16)15(8-13(9)7-12)14-4-2-11-3-5-14/h6,11H,2-5,7-8H2,1H3
InChIKeyPCJHHGYCFYEFQX-UHFFFAOYSA-N
XLogP-1.35
TPSA42.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-piperazin-1-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
The IUPAC name of 2-methyl-6-piperazin-1-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one (CID 68646570) is 2-methyl-6-piperazin-1-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one.
What is the SMILES notation for 2-methyl-6-piperazin-1-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
The canonical SMILES for 2-methyl-6-piperazin-1-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one is CN1C=C2C(=O)N(N3CCNCC3)CN2C1.
What is the InChIKey of 2-methyl-6-piperazin-1-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
The InChIKey is PCJHHGYCFYEFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-12-6-9-10(16)15(8-13(9)7-12)14-4-2-11-3-5-14/h6,11H,2-5,7-8H2,1H3.
What are the key properties of 2-methyl-6-piperazin-1-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
2-methyl-6-piperazin-1-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one has a molecular weight of 223.28 g/mol, XLogP of -1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-piperazin-1-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one is sourced from PubChem (CID 68646570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).