4-(4-ethoxypiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C12H18N8O — CID 80776487

IUPAC4-(4-ethoxypiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCOC1CCN(c2nc(N)nc(-n3cncn3)n2)CC1
InChIInChI=1S/C12H18N8O/c1-2-21-9-3-5-19(6-4-9)11-16-10(13)17-12(18-11)20-8-14-7-15-20/h7-9H,2-6H2,1H3,(H2,13,16,17,18)
InChIKeySBTVBRCJDDLTKH-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.04
Rot. Bonds4

About 4-(4-ethoxypiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

4-(4-ethoxypiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80776487) has the molecular formula C12H18N8O and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-(4-ethoxypiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-ethoxypiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80776487
Molecular FormulaC12H18N8O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name4-(4-ethoxypiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCOC1CCN(c2nc(N)nc(-n3cncn3)n2)CC1
InChIInChI=1S/C12H18N8O/c1-2-21-9-3-5-19(6-4-9)11-16-10(13)17-12(18-11)20-8-14-7-15-20/h7-9H,2-6H2,1H3,(H2,13,16,17,18)
InChIKeySBTVBRCJDDLTKH-UHFFFAOYSA-N
XLogP0.04
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-[4-(dimethylamino)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80776233
[1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 80757297
4-morpholin-4-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80767719
4-(4-ethoxypiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80798570
2-N-cycloheptyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80772602
4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 83223656
4-(1,2,4-triazol-1-yl)-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80816943
1-[1-[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]ethanol
CID 106836961
4-propoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853858
2-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80774283
3-(4-ethoxypiperidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66276875
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80879284

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxypiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-ethoxypiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80776487) is 4-(4-ethoxypiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-ethoxypiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-ethoxypiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CCOC1CCN(c2nc(N)nc(-n3cncn3)n2)CC1.
What is the InChIKey of 4-(4-ethoxypiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is SBTVBRCJDDLTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8O/c1-2-21-9-3-5-19(6-4-9)11-16-10(13)17-12(18-11)20-8-14-7-15-20/h7-9H,2-6H2,1H3,(H2,13,16,17,18).
What are the key properties of 4-(4-ethoxypiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-(4-ethoxypiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 290.33 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxypiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80776487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).