4-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpiperazin-2-one

C12H16N6O — CID 126775250

IUPAC4-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpiperazin-2-one
SMILESCCc1nnc2ccc(N3CCN(C)C(=O)C3)nn12
InChIInChI=1S/C12H16N6O/c1-3-9-13-14-10-4-5-11(15-18(9)10)17-7-6-16(2)12(19)8-17/h4-5H,3,6-8H2,1-2H3
InChIKeyLMMRNSCCCLSGPN-UHFFFAOYSA-N
MW260.30 g/mol
LogP-0.03
Rot. Bonds2

About 4-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpiperazin-2-one

4-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpiperazin-2-one (PubChem CID 126775250) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpiperazin-2-one
PubChem CID126775250
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name4-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpiperazin-2-one
SMILESCCc1nnc2ccc(N3CCN(C)C(=O)C3)nn12
InChIInChI=1S/C12H16N6O/c1-3-9-13-14-10-4-5-11(15-18(9)10)17-7-6-16(2)12(19)8-17/h4-5H,3,6-8H2,1-2H3
InChIKeyLMMRNSCCCLSGPN-UHFFFAOYSA-N
XLogP-0.03
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpiperazin-2-one (CID 126775250) is 4-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpiperazin-2-one is CCc1nnc2ccc(N3CCN(C)C(=O)C3)nn12.
What is the InChIKey of 4-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpiperazin-2-one?
The InChIKey is LMMRNSCCCLSGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-3-9-13-14-10-4-5-11(15-18(9)10)17-7-6-16(2)12(19)8-17/h4-5H,3,6-8H2,1-2H3.
What are the key properties of 4-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpiperazin-2-one?
4-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpiperazin-2-one has a molecular weight of 260.30 g/mol, XLogP of -0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpiperazin-2-one is sourced from PubChem (CID 126775250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).