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

C11H16N8 — CID 80764951

IUPAC4-(3-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCC1CCCN(c2nc(N)nc(-n3cncn3)n2)C1
InChIInChI=1S/C11H16N8/c1-8-3-2-4-18(5-8)10-15-9(12)16-11(17-10)19-7-13-6-14-19/h6-8H,2-5H2,1H3,(H2,12,15,16,17)
InChIKeyUSQVZIVZQIQVLM-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.27
Rot. Bonds2

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

4-(3-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80764951) has the molecular formula C11H16N8 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80764951
Molecular FormulaC11H16N8
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name4-(3-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCC1CCCN(c2nc(N)nc(-n3cncn3)n2)C1
InChIInChI=1S/C11H16N8/c1-8-3-2-4-18(5-8)10-15-9(12)16-11(17-10)19-7-13-6-14-19/h6-8H,2-5H2,1H3,(H2,12,15,16,17)
InChIKeyUSQVZIVZQIQVLM-UHFFFAOYSA-N
XLogP0.27
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80764951) is 4-(3-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CC1CCCN(c2nc(N)nc(-n3cncn3)n2)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is USQVZIVZQIQVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N8/c1-8-3-2-4-18(5-8)10-15-9(12)16-11(17-10)19-7-13-6-14-19/h6-8H,2-5H2,1H3,(H2,12,15,16,17).
What are the key properties of 4-(3-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-(3-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 260.30 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80764951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).