6-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C12H20N4O3 — CID 103794673

IUPAC6-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCOCCC1(CNc2nn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C12H20N4O3/c1-15-10(17)9(14-16(2)11(15)18)13-8-12(4-5-12)6-7-19-3/h4-8H2,1-3H3,(H,13,14)
InChIKeyAAXGDUKVKJZGCS-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.29
Rot. Bonds6

About 6-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 103794673) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID103794673
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name6-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCOCCC1(CNc2nn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C12H20N4O3/c1-15-10(17)9(14-16(2)11(15)18)13-8-12(4-5-12)6-7-19-3/h4-8H2,1-3H3,(H,13,14)
InChIKeyAAXGDUKVKJZGCS-UHFFFAOYSA-N
XLogP-0.29
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione with MolForge

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Related Compounds

2,4-Dimethyl-6-(oxan-4-ylmethylamino)-1,2,4-triazine-3,5-dione
CID 55209691
6-(4-Methoxybutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60964349
2,4-Dimethyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-1,2,4-triazine-3,5-dione
CID 79362226
2,4-Dimethyl-6-[(2,2,3,3-tetramethylcyclopropyl)amino]-1,2,4-triazine-3,5-dione
CID 79362828
6-[[1-(Hydroxymethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 79479739
6-[(2-Ethyl-4-hydroxybutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 80296099
6-[(4-Hydroxy-2,2-dimethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103705241
2,4-Dimethyl-6-[(1-methylcyclopropyl)methylamino]-1,2,4-triazine-3,5-dione
CID 103724996
6-[(1-Ethylcyclopropyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103736801
2,4-Dimethyl-6-[(4-methyloxan-4-yl)methylamino]-1,2,4-triazine-3,5-dione
CID 103742990
6-[(4-methyloxan-4-yl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 103743063
2,4-Dimethyl-6-[(1-propylcyclopropyl)methylamino]-1,2,4-triazine-3,5-dione
CID 103761693

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 103794673) is 6-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is COCCC1(CNc2nn(C)c(=O)n(C)c2=O)CC1.
What is the InChIKey of 6-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is AAXGDUKVKJZGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-15-10(17)9(14-16(2)11(15)18)13-8-12(4-5-12)6-7-19-3/h4-8H2,1-3H3,(H,13,14).
What are the key properties of 6-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 268.32 g/mol, XLogP of -0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103794673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).