4-methoxy-2-methyl-1,4-dihydro-1,3,5-triazine

C5H9N3O — CID 173361238

IUPAC4-methoxy-2-methyl-1,4-dihydro-1,3,5-triazine
SMILESCOC1N=CNC(C)=N1
InChIInChI=1S/C5H9N3O/c1-4-6-3-7-5(8-4)9-2/h3,5H,1-2H3,(H,6,7,8)
InChIKeyVKMXXSFDGLGPGU-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.03
Rot. Bonds1

About 4-methoxy-2-methyl-1,4-dihydro-1,3,5-triazine

4-methoxy-2-methyl-1,4-dihydro-1,3,5-triazine (PubChem CID 173361238) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-methoxy-2-methyl-1,4-dihydro-1,3,5-triazine
PubChem CID173361238
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name4-methoxy-2-methyl-1,4-dihydro-1,3,5-triazine
SMILESCOC1N=CNC(C)=N1
InChIInChI=1S/C5H9N3O/c1-4-6-3-7-5(8-4)9-2/h3,5H,1-2H3,(H,6,7,8)
InChIKeyVKMXXSFDGLGPGU-UHFFFAOYSA-N
XLogP-0.03
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-6-methyl-1,4-dihydro-1,3,5-triazine
CID 21641127
2-Methyl-1,4-dihydro-1,3,5-triazine
CID 22328769
2,4-Dimethyl-1,4-dihydro-1,3,5-triazine
CID 22328857
2-methoxy-N,6-dimethyl-1,4-dihydro-1,3,5-triazin-4-amine
CID 57101877
2,4-Dimethoxy-6-methyl-1,4-dihydro-1,3,5-triazine
CID 89773565
N,N'-bis(methoxymethyl)ethanimidamide
CID 91112478
N'-methyl-N-(methyliminomethyl)ethanimidamide
CID 123298875
4-methoxy-2-methyl-1H-1,3,5-triazin-4-amine
CID 150424695
2,4-dimethyl-1H-1,3,5-triazin-4-ol
CID 153988944
N-ethyl-N'-(methoxymethyl)ethanimidamide
CID 173483015
N-(1-methoxyethyliminomethyl)ethanimidamide
CID 176529079
N-(methoxymethyl)-N'-methylethanimidamide
CID 149549624

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-methoxy-2-methyl-1,4-dihydro-1,3,5-triazine (CID 173361238) is 4-methoxy-2-methyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-methoxy-2-methyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-methoxy-2-methyl-1,4-dihydro-1,3,5-triazine is COC1N=CNC(C)=N1.
What is the InChIKey of 4-methoxy-2-methyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is VKMXXSFDGLGPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4-6-3-7-5(8-4)9-2/h3,5H,1-2H3,(H,6,7,8).
What are the key properties of 4-methoxy-2-methyl-1,4-dihydro-1,3,5-triazine?
4-methoxy-2-methyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 127.15 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 173361238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).