1-(4,6-dimethoxy-1,3,5-triazin-2-yl)azepane

C11H18N4O2 — CID 818684

IUPAC1-(4,6-dimethoxy-1,3,5-triazin-2-yl)azepane
SMILESCOc1nc(OC)nc(N2CCCCCC2)n1
InChIInChI=1S/C11H18N4O2/c1-16-10-12-9(13-11(14-10)17-2)15-7-5-3-4-6-8-15/h3-8H2,1-2H3
InChIKeyMCZLKPPLRBQAFA-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.27
Rot. Bonds3

About 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)azepane

1-(4,6-dimethoxy-1,3,5-triazin-2-yl)azepane (PubChem CID 818684) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)azepane.

Molecular Properties

Compound Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)azepane
PubChem CID818684
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)azepane
SMILESCOc1nc(OC)nc(N2CCCCCC2)n1
InChIInChI=1S/C11H18N4O2/c1-16-10-12-9(13-11(14-10)17-2)15-7-5-3-4-6-8-15/h3-8H2,1-2H3
InChIKeyMCZLKPPLRBQAFA-UHFFFAOYSA-N
XLogP1.27
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-Diazaperhydroepinyl-4-methoxy-1,3,5-triazine
CID 648148
4,6-dimethoxy-N,N-dipropyl-1,3,5-triazin-2-amine
CID 977545
2,4-Dimethoxy-6-(piperidin-1-yl)-1,3,5-triazine
CID 816732
2-(1-Ethylpiperidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine
CID 18420077
6-(Azepan-1-yl)-1,3,5-triazine-2,4-diamine
CID 53648269
1-[4-(Azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-4-propyl-1,4-diazepane
CID 72107521
4-(1-Azepanyl)-6-(4-morpholinyl)-1,3,5-triazin-2-yl methyl ether
CID 1219990
4-(azepan-1-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine
CID 14813052
2,4-Dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine
CID 16678300
2,4-Dimethoxy-6-(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine
CID 18420008
2-(1-Ethylpyrrolidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine
CID 18420034
2,4-Dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine perchlorate
CID 18420035

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)azepane?
The IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)azepane (CID 818684) is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)azepane.
What is the SMILES notation for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)azepane?
The canonical SMILES for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)azepane is COc1nc(OC)nc(N2CCCCCC2)n1.
What is the InChIKey of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)azepane?
The InChIKey is MCZLKPPLRBQAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-16-10-12-9(13-11(14-10)17-2)15-7-5-3-4-6-8-15/h3-8H2,1-2H3.
What are the key properties of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)azepane?
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)azepane has a molecular weight of 238.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)azepane is sourced from PubChem (CID 818684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).