3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione

C15H20N4O3 — CID 134557397

IUPAC3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione
SMILESCOC1CCC(Cn2c(=O)c3cnncc3n(C)c2=O)CC1
InChIInChI=1S/C15H20N4O3/c1-18-13-8-17-16-7-12(13)14(20)19(15(18)21)9-10-3-5-11(22-2)6-4-10/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyHKSDZJBLDFOZRU-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.70
Rot. Bonds3

About 3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione

3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione (PubChem CID 134557397) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione.

Molecular Properties

Compound Name3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione
PubChem CID134557397
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione
SMILESCOC1CCC(Cn2c(=O)c3cnncc3n(C)c2=O)CC1
InChIInChI=1S/C15H20N4O3/c1-18-13-8-17-16-7-12(13)14(20)19(15(18)21)9-10-3-5-11(22-2)6-4-10/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyHKSDZJBLDFOZRU-UHFFFAOYSA-N
XLogP0.70
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-Dimethylpyrimido[4,5-d]pyridazine-2,4-dione
CID 177216691

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione?
The IUPAC name of 3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione (CID 134557397) is 3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione.
What is the SMILES notation for 3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione?
The canonical SMILES for 3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione is COC1CCC(Cn2c(=O)c3cnncc3n(C)c2=O)CC1.
What is the InChIKey of 3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione?
The InChIKey is HKSDZJBLDFOZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-18-13-8-17-16-7-12(13)14(20)19(15(18)21)9-10-3-5-11(22-2)6-4-10/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione?
3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione has a molecular weight of 304.35 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione is sourced from PubChem (CID 134557397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).