4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C12H18N8O — CID 80879284

IUPAC4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCCC1CCOc1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C12H18N8O/c1-19-5-2-3-9(19)4-6-21-12-17-10(13)16-11(18-12)20-8-14-7-15-20/h7-9H,2-6H2,1H3,(H2,13,16,17,18)
InChIKeyBFDIILJURJUVGH-UHFFFAOYSA-N
MW290.33 g/mol
LogP-0.10
Rot. Bonds5

About 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80879284) has the molecular formula C12H18N8O and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80879284
Molecular FormulaC12H18N8O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCCC1CCOc1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C12H18N8O/c1-19-5-2-3-9(19)4-6-21-12-17-10(13)16-11(18-12)20-8-14-7-15-20/h7-9H,2-6H2,1H3,(H2,13,16,17,18)
InChIKeyBFDIILJURJUVGH-UHFFFAOYSA-N
XLogP-0.10
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-propoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853858
4-methoxy-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,3,5-triazin-2-amine
CID 80870804
6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazin-2-amine
CID 80648161
4-imidazol-1-yl-6-[(1-methylpiperidin-2-yl)methoxy]-1,3,5-triazin-2-amine
CID 80863288
4-(2,2,3,3,3-pentafluoropropoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80871032
4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80751432
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566419
2-N-cycloheptyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80772602
4-[4-(dimethylamino)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80776233
4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 83223656
[1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 80757297
4-(3-ethylphenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80846676

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80879284) is 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CN1CCCC1CCOc1nc(N)nc(-n2cncn2)n1.
What is the InChIKey of 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is BFDIILJURJUVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8O/c1-19-5-2-3-9(19)4-6-21-12-17-10(13)16-11(18-12)20-8-14-7-15-20/h7-9H,2-6H2,1H3,(H2,13,16,17,18).
What are the key properties of 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 290.33 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80879284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).