3-piperazin-1-yl-5H-pyridazino[3,4-b][1,4]benzoxazine

C14H15N5O — CID 6410472

IUPAC3-piperazin-1-yl-5H-pyridazino[3,4-b][1,4]benzoxazine
SMILESc1ccc2c(c1)Nc1cc(N3CCNCC3)nnc1O2
InChIInChI=1S/C14H15N5O/c1-2-4-12-10(3-1)16-11-9-13(17-18-14(11)20-12)19-7-5-15-6-8-19/h1-4,9,15-16H,5-8H2
InChIKeyCNKMDJBDZAQJTH-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.74
Rot. Bonds1

About 3-piperazin-1-yl-5H-pyridazino[3,4-b][1,4]benzoxazine

3-piperazin-1-yl-5H-pyridazino[3,4-b][1,4]benzoxazine (PubChem CID 6410472) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-piperazin-1-yl-5H-pyridazino[3,4-b][1,4]benzoxazine.

Molecular Properties

Compound Name3-piperazin-1-yl-5H-pyridazino[3,4-b][1,4]benzoxazine
PubChem CID6410472
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name3-piperazin-1-yl-5H-pyridazino[3,4-b][1,4]benzoxazine
SMILESc1ccc2c(c1)Nc1cc(N3CCNCC3)nnc1O2
InChIInChI=1S/C14H15N5O/c1-2-4-12-10(3-1)16-11-9-13(17-18-14(11)20-12)19-7-5-15-6-8-19/h1-4,9,15-16H,5-8H2
InChIKeyCNKMDJBDZAQJTH-UHFFFAOYSA-N
XLogP1.74
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-5H-pyridazino[3,4-b][1,4]benzoxazine?
The IUPAC name of 3-piperazin-1-yl-5H-pyridazino[3,4-b][1,4]benzoxazine (CID 6410472) is 3-piperazin-1-yl-5H-pyridazino[3,4-b][1,4]benzoxazine.
What is the SMILES notation for 3-piperazin-1-yl-5H-pyridazino[3,4-b][1,4]benzoxazine?
The canonical SMILES for 3-piperazin-1-yl-5H-pyridazino[3,4-b][1,4]benzoxazine is c1ccc2c(c1)Nc1cc(N3CCNCC3)nnc1O2.
What is the InChIKey of 3-piperazin-1-yl-5H-pyridazino[3,4-b][1,4]benzoxazine?
The InChIKey is CNKMDJBDZAQJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-4-12-10(3-1)16-11-9-13(17-18-14(11)20-12)19-7-5-15-6-8-19/h1-4,9,15-16H,5-8H2.
What are the key properties of 3-piperazin-1-yl-5H-pyridazino[3,4-b][1,4]benzoxazine?
3-piperazin-1-yl-5H-pyridazino[3,4-b][1,4]benzoxazine has a molecular weight of 269.31 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-5H-pyridazino[3,4-b][1,4]benzoxazine is sourced from PubChem (CID 6410472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).