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

C12H18N8 — CID 80767051

IUPAC4-(3,5-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCC1CC(C)CN(c2nc(N)nc(-n3cncn3)n2)C1
InChIInChI=1S/C12H18N8/c1-8-3-9(2)5-19(4-8)11-16-10(13)17-12(18-11)20-7-14-6-15-20/h6-9H,3-5H2,1-2H3,(H2,13,16,17,18)
InChIKeyYDMBAUHKZUSBFG-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.52
Rot. Bonds2

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

4-(3,5-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80767051) has the molecular formula C12H18N8 and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80767051
Molecular FormulaC12H18N8
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCC1CC(C)CN(c2nc(N)nc(-n3cncn3)n2)C1
InChIInChI=1S/C12H18N8/c1-8-3-9(2)5-19(4-8)11-16-10(13)17-12(18-11)20-7-14-6-15-20/h6-9H,3-5H2,1-2H3,(H2,13,16,17,18)
InChIKeyYDMBAUHKZUSBFG-UHFFFAOYSA-N
XLogP0.52
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80767051) is 4-(3,5-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CC1CC(C)CN(c2nc(N)nc(-n3cncn3)n2)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is YDMBAUHKZUSBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8/c1-8-3-9(2)5-19(4-8)11-16-10(13)17-12(18-11)20-7-14-6-15-20/h6-9H,3-5H2,1-2H3,(H2,13,16,17,18).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-(3,5-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 274.33 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80767051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).