1-methyl-3-(4-methylpiperazin-1-yl)pyrrole-2,5-diol

C10H17N3O2 — CID 90930360

IUPAC1-methyl-3-(4-methylpiperazin-1-yl)pyrrole-2,5-diol
SMILESCN1CCN(c2cc(O)n(C)c2O)CC1
InChIInChI=1S/C10H17N3O2/c1-11-3-5-13(6-4-11)8-7-9(14)12(2)10(8)15/h7,14-15H,3-6H2,1-2H3
InChIKeyPWBXYULRIKLGPP-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.19
Rot. Bonds1

About 1-methyl-3-(4-methylpiperazin-1-yl)pyrrole-2,5-diol

1-methyl-3-(4-methylpiperazin-1-yl)pyrrole-2,5-diol (PubChem CID 90930360) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-methyl-3-(4-methylpiperazin-1-yl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-methyl-3-(4-methylpiperazin-1-yl)pyrrole-2,5-diol
PubChem CID90930360
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-methyl-3-(4-methylpiperazin-1-yl)pyrrole-2,5-diol
SMILESCN1CCN(c2cc(O)n(C)c2O)CC1
InChIInChI=1S/C10H17N3O2/c1-11-3-5-13(6-4-11)8-7-9(14)12(2)10(8)15/h7,14-15H,3-6H2,1-2H3
InChIKeyPWBXYULRIKLGPP-UHFFFAOYSA-N
XLogP0.19
TPSA51.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylpiperazin-1-yl)pyrrole-2,5-diol?
The IUPAC name of 1-methyl-3-(4-methylpiperazin-1-yl)pyrrole-2,5-diol (CID 90930360) is 1-methyl-3-(4-methylpiperazin-1-yl)pyrrole-2,5-diol.
What is the SMILES notation for 1-methyl-3-(4-methylpiperazin-1-yl)pyrrole-2,5-diol?
The canonical SMILES for 1-methyl-3-(4-methylpiperazin-1-yl)pyrrole-2,5-diol is CN1CCN(c2cc(O)n(C)c2O)CC1.
What is the InChIKey of 1-methyl-3-(4-methylpiperazin-1-yl)pyrrole-2,5-diol?
The InChIKey is PWBXYULRIKLGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-11-3-5-13(6-4-11)8-7-9(14)12(2)10(8)15/h7,14-15H,3-6H2,1-2H3.
What are the key properties of 1-methyl-3-(4-methylpiperazin-1-yl)pyrrole-2,5-diol?
1-methyl-3-(4-methylpiperazin-1-yl)pyrrole-2,5-diol has a molecular weight of 211.26 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylpiperazin-1-yl)pyrrole-2,5-diol is sourced from PubChem (CID 90930360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).