5-(2-ethyl-4-methylimidazol-1-yl)piperazine-1,3-diamine

C10H20N6 — CID 174501433

IUPAC5-(2-ethyl-4-methylimidazol-1-yl)piperazine-1,3-diamine
SMILESCCc1nc(C)cn1C1CN(N)CC(N)N1
InChIInChI=1S/C10H20N6/c1-3-9-13-7(2)4-16(9)10-6-15(12)5-8(11)14-10/h4,8,10,14H,3,5-6,11-12H2,1-2H3
InChIKeyCNHXQOGUZZWACJ-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.68
Rot. Bonds2

About 5-(2-ethyl-4-methylimidazol-1-yl)piperazine-1,3-diamine

5-(2-ethyl-4-methylimidazol-1-yl)piperazine-1,3-diamine (PubChem CID 174501433) has the molecular formula C10H20N6 and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-(2-ethyl-4-methylimidazol-1-yl)piperazine-1,3-diamine.

Molecular Properties

Compound Name5-(2-ethyl-4-methylimidazol-1-yl)piperazine-1,3-diamine
PubChem CID174501433
Molecular FormulaC10H20N6
Molecular Weight224.31 g/mol
Exact Mass224.17
IUPAC Name5-(2-ethyl-4-methylimidazol-1-yl)piperazine-1,3-diamine
SMILESCCc1nc(C)cn1C1CN(N)CC(N)N1
InChIInChI=1S/C10H20N6/c1-3-9-13-7(2)4-16(9)10-6-15(12)5-8(11)14-10/h4,8,10,14H,3,5-6,11-12H2,1-2H3
InChIKeyCNHXQOGUZZWACJ-UHFFFAOYSA-N
XLogP-0.68
TPSA85.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 5-(2-ethyl-4-methylimidazol-1-yl)piperazine-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-4-methylimidazol-1-yl)piperazine-1,3-diamine?
The IUPAC name of 5-(2-ethyl-4-methylimidazol-1-yl)piperazine-1,3-diamine (CID 174501433) is 5-(2-ethyl-4-methylimidazol-1-yl)piperazine-1,3-diamine.
What is the SMILES notation for 5-(2-ethyl-4-methylimidazol-1-yl)piperazine-1,3-diamine?
The canonical SMILES for 5-(2-ethyl-4-methylimidazol-1-yl)piperazine-1,3-diamine is CCc1nc(C)cn1C1CN(N)CC(N)N1.
What is the InChIKey of 5-(2-ethyl-4-methylimidazol-1-yl)piperazine-1,3-diamine?
The InChIKey is CNHXQOGUZZWACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6/c1-3-9-13-7(2)4-16(9)10-6-15(12)5-8(11)14-10/h4,8,10,14H,3,5-6,11-12H2,1-2H3.
What are the key properties of 5-(2-ethyl-4-methylimidazol-1-yl)piperazine-1,3-diamine?
5-(2-ethyl-4-methylimidazol-1-yl)piperazine-1,3-diamine has a molecular weight of 224.31 g/mol, XLogP of -0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-4-methylimidazol-1-yl)piperazine-1,3-diamine is sourced from PubChem (CID 174501433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).