2-(3-methoxy-5-methyl-1,2,4-triazin-6-yl)-N-methylethanamine

C8H14N4O — CID 83828519

IUPAC2-(3-methoxy-5-methyl-1,2,4-triazin-6-yl)-N-methylethanamine
SMILESCNCCc1nnc(OC)nc1C
InChIInChI=1S/C8H14N4O/c1-6-7(4-5-9-2)11-12-8(10-6)13-3/h9H,4-5H2,1-3H3
InChIKeyFDVALNGWWGQEPR-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.05
Rot. Bonds4

About 2-(3-methoxy-5-methyl-1,2,4-triazin-6-yl)-N-methylethanamine

2-(3-methoxy-5-methyl-1,2,4-triazin-6-yl)-N-methylethanamine (PubChem CID 83828519) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-(3-methoxy-5-methyl-1,2,4-triazin-6-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-methoxy-5-methyl-1,2,4-triazin-6-yl)-N-methylethanamine
PubChem CID83828519
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-(3-methoxy-5-methyl-1,2,4-triazin-6-yl)-N-methylethanamine
SMILESCNCCc1nnc(OC)nc1C
InChIInChI=1S/C8H14N4O/c1-6-7(4-5-9-2)11-12-8(10-6)13-3/h9H,4-5H2,1-3H3
InChIKeyFDVALNGWWGQEPR-UHFFFAOYSA-N
XLogP-0.05
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-5-methyl-1,2,4-triazin-6-yl)-N-methylethanamine?
The IUPAC name of 2-(3-methoxy-5-methyl-1,2,4-triazin-6-yl)-N-methylethanamine (CID 83828519) is 2-(3-methoxy-5-methyl-1,2,4-triazin-6-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-methoxy-5-methyl-1,2,4-triazin-6-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-methoxy-5-methyl-1,2,4-triazin-6-yl)-N-methylethanamine is CNCCc1nnc(OC)nc1C.
What is the InChIKey of 2-(3-methoxy-5-methyl-1,2,4-triazin-6-yl)-N-methylethanamine?
The InChIKey is FDVALNGWWGQEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6-7(4-5-9-2)11-12-8(10-6)13-3/h9H,4-5H2,1-3H3.
What are the key properties of 2-(3-methoxy-5-methyl-1,2,4-triazin-6-yl)-N-methylethanamine?
2-(3-methoxy-5-methyl-1,2,4-triazin-6-yl)-N-methylethanamine has a molecular weight of 182.23 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-5-methyl-1,2,4-triazin-6-yl)-N-methylethanamine is sourced from PubChem (CID 83828519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).