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

C10H15N3O4 — CID 168908908

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl) pentanoate
SMILESCCCCC(=O)Oc1nc(OC)nc(OC)n1
InChIInChI=1S/C10H15N3O4/c1-4-5-6-7(14)17-10-12-8(15-2)11-9(13-10)16-3/h4-6H2,1-3H3
InChIKeyRSKUWDWPSSKENO-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.98
Rot. Bonds6

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

(4,6-dimethoxy-1,3,5-triazin-2-yl) pentanoate (PubChem CID 168908908) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3,5-triazin-2-yl) pentanoate.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl) pentanoate
PubChem CID168908908
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl) pentanoate
SMILESCCCCC(=O)Oc1nc(OC)nc(OC)n1
InChIInChI=1S/C10H15N3O4/c1-4-5-6-7(14)17-10-12-8(15-2)11-9(13-10)16-3/h4-6H2,1-3H3
InChIKeyRSKUWDWPSSKENO-UHFFFAOYSA-N
XLogP0.98
TPSA83.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

hydrazine;methyl pentanoate
CID 88709772
(2,3,6-trichlorophenyl) pentanoate
CID 154038193
(4-chlorophenyl) pentanoate
CID 532709
(3-methoxy-2-pentanoyloxyphenyl) pentanoate
CID 90032115
methyl heptanoate
CID 7826
methyl heptadecanoate
CID 15609
methyl tetradecanoate
CID 89052795
ethane;methyl hexanoate
CID 159004993
methyl octadecanoate;methyl octanoate
CID 157178883
[3,5-dichloro-2-methoxy-6-(trichloromethyl)-4-pyridinyl] octanoate
CID 101126981
(2,4-dimethoxyphenyl) pentanoate
CID 91361677
dipentanoyl hexanedioate
CID 174373362

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) pentanoate?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) pentanoate (CID 168908908) is (4,6-dimethoxy-1,3,5-triazin-2-yl) pentanoate.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl) pentanoate?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl) pentanoate is CCCCC(=O)Oc1nc(OC)nc(OC)n1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl) pentanoate?
The InChIKey is RSKUWDWPSSKENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-4-5-6-7(14)17-10-12-8(15-2)11-9(13-10)16-3/h4-6H2,1-3H3.
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl) pentanoate?
(4,6-dimethoxy-1,3,5-triazin-2-yl) pentanoate has a molecular weight of 241.25 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxy-1,3,5-triazin-2-yl) pentanoate is sourced from PubChem (CID 168908908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).