7-amino-1-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]-6H-pyrimido[4,5-c]pyridazine-4,5-dione

C17H19N5O5 — CID 135735683

IUPAC7-amino-1-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]-6H-pyrimido[4,5-c]pyridazine-4,5-dione
SMILESCOc1cc(Cc2nn(C)c3nc(N)[nH]c(=O)c3c2=O)cc(OC)c1OC
InChIInChI=1S/C17H19N5O5/c1-22-15-12(16(24)20-17(18)19-15)13(23)9(21-22)5-8-6-10(25-2)14(27-4)11(7-8)26-3/h6-7H,5H2,1-4H3,(H3,18,19,20,24)
InChIKeyDZHBDZKIPUBBMU-UHFFFAOYSA-N
MW373.37 g/mol
LogP0.22
Rot. Bonds5

About 7-amino-1-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]-6H-pyrimido[4,5-c]pyridazine-4,5-dione

7-amino-1-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]-6H-pyrimido[4,5-c]pyridazine-4,5-dione (PubChem CID 135735683) has the molecular formula C17H19N5O5 and a molecular weight of 373.37 g/mol. Its IUPAC name is 7-amino-1-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]-6H-pyrimido[4,5-c]pyridazine-4,5-dione.

Molecular Properties

Compound Name7-amino-1-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]-6H-pyrimido[4,5-c]pyridazine-4,5-dione
PubChem CID135735683
Molecular FormulaC17H19N5O5
Molecular Weight373.37 g/mol
Exact Mass373.14
IUPAC Name7-amino-1-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]-6H-pyrimido[4,5-c]pyridazine-4,5-dione
SMILESCOc1cc(Cc2nn(C)c3nc(N)[nH]c(=O)c3c2=O)cc(OC)c1OC
InChIInChI=1S/C17H19N5O5/c1-22-15-12(16(24)20-17(18)19-15)13(23)9(21-22)5-8-6-10(25-2)14(27-4)11(7-8)26-3/h6-7H,5H2,1-4H3,(H3,18,19,20,24)
InChIKeyDZHBDZKIPUBBMU-UHFFFAOYSA-N
XLogP0.22
TPSA134.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]-6H-pyrimido[4,5-c]pyridazine-4,5-dione?
The IUPAC name of 7-amino-1-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]-6H-pyrimido[4,5-c]pyridazine-4,5-dione (CID 135735683) is 7-amino-1-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]-6H-pyrimido[4,5-c]pyridazine-4,5-dione.
What is the SMILES notation for 7-amino-1-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]-6H-pyrimido[4,5-c]pyridazine-4,5-dione?
The canonical SMILES for 7-amino-1-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]-6H-pyrimido[4,5-c]pyridazine-4,5-dione is COc1cc(Cc2nn(C)c3nc(N)[nH]c(=O)c3c2=O)cc(OC)c1OC.
What is the InChIKey of 7-amino-1-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]-6H-pyrimido[4,5-c]pyridazine-4,5-dione?
The InChIKey is DZHBDZKIPUBBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O5/c1-22-15-12(16(24)20-17(18)19-15)13(23)9(21-22)5-8-6-10(25-2)14(27-4)11(7-8)26-3/h6-7H,5H2,1-4H3,(H3,18,19,20,24).
What are the key properties of 7-amino-1-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]-6H-pyrimido[4,5-c]pyridazine-4,5-dione?
7-amino-1-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]-6H-pyrimido[4,5-c]pyridazine-4,5-dione has a molecular weight of 373.37 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]-6H-pyrimido[4,5-c]pyridazine-4,5-dione is sourced from PubChem (CID 135735683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).