1-ethyl-3-methyl-6-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2H-pyridazino[1,6-c]quinazoline

C20H24F3N5 — CID 143957300

IUPAC1-ethyl-3-methyl-6-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2H-pyridazino[1,6-c]quinazoline
SMILESCCC1=C2c3ccc(C(F)(F)F)cc3N=C(N3CCN(C)CC3)N2N=C(C)C1
InChIInChI=1S/C20H24F3N5/c1-4-14-11-13(2)25-28-18(14)16-6-5-15(20(21,22)23)12-17(16)24-19(28)27-9-7-26(3)8-10-27/h5-6,12H,4,7-11H2,1-3H3
InChIKeyXXMURERCPUVTEV-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.16
Rot. Bonds1

About 1-ethyl-3-methyl-6-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2H-pyridazino[1,6-c]quinazoline

1-ethyl-3-methyl-6-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2H-pyridazino[1,6-c]quinazoline (PubChem CID 143957300) has the molecular formula C20H24F3N5 and a molecular weight of 391.44 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2H-pyridazino[1,6-c]quinazoline.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2H-pyridazino[1,6-c]quinazoline
PubChem CID143957300
Molecular FormulaC20H24F3N5
Molecular Weight391.44 g/mol
Exact Mass391.20
IUPAC Name1-ethyl-3-methyl-6-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2H-pyridazino[1,6-c]quinazoline
SMILESCCC1=C2c3ccc(C(F)(F)F)cc3N=C(N3CCN(C)CC3)N2N=C(C)C1
InChIInChI=1S/C20H24F3N5/c1-4-14-11-13(2)25-28-18(14)16-6-5-15(20(21,22)23)12-17(16)24-19(28)27-9-7-26(3)8-10-27/h5-6,12H,4,7-11H2,1-3H3
InChIKeyXXMURERCPUVTEV-UHFFFAOYSA-N
XLogP4.16
TPSA34.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2H-pyridazino[1,6-c]quinazoline?
The IUPAC name of 1-ethyl-3-methyl-6-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2H-pyridazino[1,6-c]quinazoline (CID 143957300) is 1-ethyl-3-methyl-6-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2H-pyridazino[1,6-c]quinazoline.
What is the SMILES notation for 1-ethyl-3-methyl-6-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2H-pyridazino[1,6-c]quinazoline?
The canonical SMILES for 1-ethyl-3-methyl-6-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2H-pyridazino[1,6-c]quinazoline is CCC1=C2c3ccc(C(F)(F)F)cc3N=C(N3CCN(C)CC3)N2N=C(C)C1.
What is the InChIKey of 1-ethyl-3-methyl-6-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2H-pyridazino[1,6-c]quinazoline?
The InChIKey is XXMURERCPUVTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5/c1-4-14-11-13(2)25-28-18(14)16-6-5-15(20(21,22)23)12-17(16)24-19(28)27-9-7-26(3)8-10-27/h5-6,12H,4,7-11H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-6-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2H-pyridazino[1,6-c]quinazoline?
1-ethyl-3-methyl-6-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2H-pyridazino[1,6-c]quinazoline has a molecular weight of 391.44 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2H-pyridazino[1,6-c]quinazoline is sourced from PubChem (CID 143957300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).