1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide

C12H20N6O2 — CID 80753956

IUPAC1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide
SMILESCCOc1nc(NC)nc(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C12H20N6O2/c1-3-20-12-16-10(14-2)15-11(17-12)18-6-4-8(5-7-18)9(13)19/h8H,3-7H2,1-2H3,(H2,13,19)(H,14,15,16,17)
InChIKeyQQEMBVGBRAJVCA-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.01
Rot. Bonds5

About 1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide

1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide (PubChem CID 80753956) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide
PubChem CID80753956
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide
SMILESCCOc1nc(NC)nc(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C12H20N6O2/c1-3-20-12-16-10(14-2)15-11(17-12)18-6-4-8(5-7-18)9(13)19/h8H,3-7H2,1-2H3,(H2,13,19)(H,14,15,16,17)
InChIKeyQQEMBVGBRAJVCA-UHFFFAOYSA-N
XLogP0.01
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide (CID 80753956) is 1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide is CCOc1nc(NC)nc(N2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide?
The InChIKey is QQEMBVGBRAJVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-3-20-12-16-10(14-2)15-11(17-12)18-6-4-8(5-7-18)9(13)19/h8H,3-7H2,1-2H3,(H2,13,19)(H,14,15,16,17).
What are the key properties of 1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide?
1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 80753956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).