6,8-dimethyl-3-morpholin-4-ylpyrimido[4,5-c]pyridazine-5,7-dione

C12H15N5O3 — CID 6408828

IUPAC6,8-dimethyl-3-morpholin-4-ylpyrimido[4,5-c]pyridazine-5,7-dione
SMILESCn1c(=O)c2cc(N3CCOCC3)nnc2n(C)c1=O
InChIInChI=1S/C12H15N5O3/c1-15-10-8(11(18)16(2)12(15)19)7-9(13-14-10)17-3-5-20-6-4-17/h7H,3-6H2,1-2H3
InChIKeyPDQZIRDCALYHHU-UHFFFAOYSA-N
MW277.28 g/mol
LogP-1.14
Rot. Bonds1

About 6,8-dimethyl-3-morpholin-4-ylpyrimido[4,5-c]pyridazine-5,7-dione

6,8-dimethyl-3-morpholin-4-ylpyrimido[4,5-c]pyridazine-5,7-dione (PubChem CID 6408828) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 6,8-dimethyl-3-morpholin-4-ylpyrimido[4,5-c]pyridazine-5,7-dione.

Molecular Properties

Compound Name6,8-dimethyl-3-morpholin-4-ylpyrimido[4,5-c]pyridazine-5,7-dione
PubChem CID6408828
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name6,8-dimethyl-3-morpholin-4-ylpyrimido[4,5-c]pyridazine-5,7-dione
SMILESCn1c(=O)c2cc(N3CCOCC3)nnc2n(C)c1=O
InChIInChI=1S/C12H15N5O3/c1-15-10-8(11(18)16(2)12(15)19)7-9(13-14-10)17-3-5-20-6-4-17/h7H,3-6H2,1-2H3
InChIKeyPDQZIRDCALYHHU-UHFFFAOYSA-N
XLogP-1.14
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-1.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-3-morpholin-4-ylpyrimido[4,5-c]pyridazine-5,7-dione?
The IUPAC name of 6,8-dimethyl-3-morpholin-4-ylpyrimido[4,5-c]pyridazine-5,7-dione (CID 6408828) is 6,8-dimethyl-3-morpholin-4-ylpyrimido[4,5-c]pyridazine-5,7-dione.
What is the SMILES notation for 6,8-dimethyl-3-morpholin-4-ylpyrimido[4,5-c]pyridazine-5,7-dione?
The canonical SMILES for 6,8-dimethyl-3-morpholin-4-ylpyrimido[4,5-c]pyridazine-5,7-dione is Cn1c(=O)c2cc(N3CCOCC3)nnc2n(C)c1=O.
What is the InChIKey of 6,8-dimethyl-3-morpholin-4-ylpyrimido[4,5-c]pyridazine-5,7-dione?
The InChIKey is PDQZIRDCALYHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-15-10-8(11(18)16(2)12(15)19)7-9(13-14-10)17-3-5-20-6-4-17/h7H,3-6H2,1-2H3.
What are the key properties of 6,8-dimethyl-3-morpholin-4-ylpyrimido[4,5-c]pyridazine-5,7-dione?
6,8-dimethyl-3-morpholin-4-ylpyrimido[4,5-c]pyridazine-5,7-dione has a molecular weight of 277.28 g/mol, XLogP of -1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-3-morpholin-4-ylpyrimido[4,5-c]pyridazine-5,7-dione is sourced from PubChem (CID 6408828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).