6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C12H20N4O3 — CID 103742740

IUPAC6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCOC1CC(Nc2nn(C)c(=O)n(C)c2=O)C1(C)C
InChIInChI=1S/C12H20N4O3/c1-12(2)7(6-8(12)19-5)13-9-10(17)15(3)11(18)16(4)14-9/h7-8H,6H2,1-5H3,(H,13,14)
InChIKeyPMQGFGMUDQVOMG-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.30
Rot. Bonds3

About 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 103742740) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID103742740
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCOC1CC(Nc2nn(C)c(=O)n(C)c2=O)C1(C)C
InChIInChI=1S/C12H20N4O3/c1-12(2)7(6-8(12)19-5)13-9-10(17)15(3)11(18)16(4)14-9/h7-8H,6H2,1-5H3,(H,13,14)
InChIKeyPMQGFGMUDQVOMG-UHFFFAOYSA-N
XLogP-0.30
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 103742740) is 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is COC1CC(Nc2nn(C)c(=O)n(C)c2=O)C1(C)C.
What is the InChIKey of 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is PMQGFGMUDQVOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-12(2)7(6-8(12)19-5)13-9-10(17)15(3)11(18)16(4)14-9/h7-8H,6H2,1-5H3,(H,13,14).
What are the key properties of 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 268.32 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103742740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).