7-amino-1-methyl-4-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-2H-pyrimido[4,5-c]pyridazine-3,5-dione

C18H19N5O6 — CID 12925367

IUPAC7-amino-1-methyl-4-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-2H-pyrimido[4,5-c]pyridazine-3,5-dione
SMILESCOc1cc(C(=O)Cc2c3c(=O)nc(N)nc-3n(C)[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C18H19N5O6/c1-23-15-13(17(26)21-18(19)20-15)9(16(25)22-23)7-10(24)8-5-11(27-2)14(29-4)12(6-8)28-3/h5-6H,7H2,1-4H3,(H,22,25)(H2,19,21,26)
InChIKeySOHAZFAYRLPISU-UHFFFAOYSA-N
MW401.38 g/mol
LogP0.00
Rot. Bonds6

About 7-amino-1-methyl-4-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-2H-pyrimido[4,5-c]pyridazine-3,5-dione

7-amino-1-methyl-4-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-2H-pyrimido[4,5-c]pyridazine-3,5-dione (PubChem CID 12925367) has the molecular formula C18H19N5O6 and a molecular weight of 401.38 g/mol. Its IUPAC name is 7-amino-1-methyl-4-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-2H-pyrimido[4,5-c]pyridazine-3,5-dione.

Molecular Properties

Compound Name7-amino-1-methyl-4-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-2H-pyrimido[4,5-c]pyridazine-3,5-dione
PubChem CID12925367
Molecular FormulaC18H19N5O6
Molecular Weight401.38 g/mol
Exact Mass401.13
IUPAC Name7-amino-1-methyl-4-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-2H-pyrimido[4,5-c]pyridazine-3,5-dione
SMILESCOc1cc(C(=O)Cc2c3c(=O)nc(N)nc-3n(C)[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C18H19N5O6/c1-23-15-13(17(26)21-18(19)20-15)9(16(25)22-23)7-10(24)8-5-11(27-2)14(29-4)12(6-8)28-3/h5-6H,7H2,1-4H3,(H,22,25)(H2,19,21,26)
InChIKeySOHAZFAYRLPISU-UHFFFAOYSA-N
XLogP0.00
TPSA151.42 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1-methyl-4-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-2H-pyrimido[4,5-c]pyridazine-3,5-dione?
The IUPAC name of 7-amino-1-methyl-4-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-2H-pyrimido[4,5-c]pyridazine-3,5-dione (CID 12925367) is 7-amino-1-methyl-4-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-2H-pyrimido[4,5-c]pyridazine-3,5-dione.
What is the SMILES notation for 7-amino-1-methyl-4-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-2H-pyrimido[4,5-c]pyridazine-3,5-dione?
The canonical SMILES for 7-amino-1-methyl-4-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-2H-pyrimido[4,5-c]pyridazine-3,5-dione is COc1cc(C(=O)Cc2c3c(=O)nc(N)nc-3n(C)[nH]c2=O)cc(OC)c1OC.
What is the InChIKey of 7-amino-1-methyl-4-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-2H-pyrimido[4,5-c]pyridazine-3,5-dione?
The InChIKey is SOHAZFAYRLPISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O6/c1-23-15-13(17(26)21-18(19)20-15)9(16(25)22-23)7-10(24)8-5-11(27-2)14(29-4)12(6-8)28-3/h5-6H,7H2,1-4H3,(H,22,25)(H2,19,21,26).
What are the key properties of 7-amino-1-methyl-4-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-2H-pyrimido[4,5-c]pyridazine-3,5-dione?
7-amino-1-methyl-4-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-2H-pyrimido[4,5-c]pyridazine-3,5-dione has a molecular weight of 401.38 g/mol, XLogP of 0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-methyl-4-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-2H-pyrimido[4,5-c]pyridazine-3,5-dione is sourced from PubChem (CID 12925367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).