5-methyl-1-(4-methylpiperazin-1-yl)-2-azabicyclo[4.1.0]hepta-2,4-diene

C12H19N3 — CID 143483015

IUPAC5-methyl-1-(4-methylpiperazin-1-yl)-2-azabicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=CC=NC2(N3CCN(C)CC3)CC12
InChIInChI=1S/C12H19N3/c1-10-3-4-13-12(9-11(10)12)15-7-5-14(2)6-8-15/h3-4,11H,5-9H2,1-2H3
InChIKeyUZRNLEURRSRRAV-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.98
Rot. Bonds1

About 5-methyl-1-(4-methylpiperazin-1-yl)-2-azabicyclo[4.1.0]hepta-2,4-diene

5-methyl-1-(4-methylpiperazin-1-yl)-2-azabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 143483015) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-methyl-1-(4-methylpiperazin-1-yl)-2-azabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name5-methyl-1-(4-methylpiperazin-1-yl)-2-azabicyclo[4.1.0]hepta-2,4-diene
PubChem CID143483015
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name5-methyl-1-(4-methylpiperazin-1-yl)-2-azabicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=CC=NC2(N3CCN(C)CC3)CC12
InChIInChI=1S/C12H19N3/c1-10-3-4-13-12(9-11(10)12)15-7-5-14(2)6-8-15/h3-4,11H,5-9H2,1-2H3
InChIKeyUZRNLEURRSRRAV-UHFFFAOYSA-N
XLogP0.98
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methylpiperazin-1-yl)-2-azabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 5-methyl-1-(4-methylpiperazin-1-yl)-2-azabicyclo[4.1.0]hepta-2,4-diene (CID 143483015) is 5-methyl-1-(4-methylpiperazin-1-yl)-2-azabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 5-methyl-1-(4-methylpiperazin-1-yl)-2-azabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 5-methyl-1-(4-methylpiperazin-1-yl)-2-azabicyclo[4.1.0]hepta-2,4-diene is CC1=CC=NC2(N3CCN(C)CC3)CC12.
What is the InChIKey of 5-methyl-1-(4-methylpiperazin-1-yl)-2-azabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is UZRNLEURRSRRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-10-3-4-13-12(9-11(10)12)15-7-5-14(2)6-8-15/h3-4,11H,5-9H2,1-2H3.
What are the key properties of 5-methyl-1-(4-methylpiperazin-1-yl)-2-azabicyclo[4.1.0]hepta-2,4-diene?
5-methyl-1-(4-methylpiperazin-1-yl)-2-azabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 205.30 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylpiperazin-1-yl)-2-azabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 143483015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).