2-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-5-methylpyrazine

C17H26N6 — CID 71932961

IUPAC2-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-5-methylpyrazine
SMILESCCn1ccnc1CN1CCN(Cc2cnc(C)cn2)CC1C
InChIInChI=1S/C17H26N6/c1-4-22-6-5-18-17(22)13-23-8-7-21(11-15(23)3)12-16-10-19-14(2)9-20-16/h5-6,9-10,15H,4,7-8,11-13H2,1-3H3
InChIKeyQVQPKFPBDGPEOV-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.71
Rot. Bonds5

About 2-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-5-methylpyrazine

2-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-5-methylpyrazine (PubChem CID 71932961) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 2-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-5-methylpyrazine.

Molecular Properties

Compound Name2-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-5-methylpyrazine
PubChem CID71932961
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name2-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-5-methylpyrazine
SMILESCCn1ccnc1CN1CCN(Cc2cnc(C)cn2)CC1C
InChIInChI=1S/C17H26N6/c1-4-22-6-5-18-17(22)13-23-8-7-21(11-15(23)3)12-16-10-19-14(2)9-20-16/h5-6,9-10,15H,4,7-8,11-13H2,1-3H3
InChIKeyQVQPKFPBDGPEOV-UHFFFAOYSA-N
XLogP1.71
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-5-methylpyrazine 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 2-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-5-methylpyrazine?
The IUPAC name of 2-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-5-methylpyrazine (CID 71932961) is 2-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-5-methylpyrazine.
What is the SMILES notation for 2-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-5-methylpyrazine?
The canonical SMILES for 2-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-5-methylpyrazine is CCn1ccnc1CN1CCN(Cc2cnc(C)cn2)CC1C.
What is the InChIKey of 2-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-5-methylpyrazine?
The InChIKey is QVQPKFPBDGPEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-4-22-6-5-18-17(22)13-23-8-7-21(11-15(23)3)12-16-10-19-14(2)9-20-16/h5-6,9-10,15H,4,7-8,11-13H2,1-3H3.
What are the key properties of 2-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-5-methylpyrazine?
2-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-5-methylpyrazine has a molecular weight of 314.44 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-5-methylpyrazine is sourced from PubChem (CID 71932961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).