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

C10H14N8 — CID 80764303

IUPAC4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(N2CCCCC2)nc(-n2cncn2)n1
InChIInChI=1S/C10H14N8/c11-8-14-9(17-4-2-1-3-5-17)16-10(15-8)18-7-12-6-13-18/h6-7H,1-5H2,(H2,11,14,15,16)
InChIKeyPCDAYKCBEOFMMH-UHFFFAOYSA-N
MW246.28 g/mol
LogP0.02
Rot. Bonds2

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

4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80764303) has the molecular formula C10H14N8 and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80764303
Molecular FormulaC10H14N8
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(N2CCCCC2)nc(-n2cncn2)n1
InChIInChI=1S/C10H14N8/c11-8-14-9(17-4-2-1-3-5-17)16-10(15-8)18-7-12-6-13-18/h6-7H,1-5H2,(H2,11,14,15,16)
InChIKeyPCDAYKCBEOFMMH-UHFFFAOYSA-N
XLogP0.02
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80764303) is 4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is Nc1nc(N2CCCCC2)nc(-n2cncn2)n1.
What is the InChIKey of 4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is PCDAYKCBEOFMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N8/c11-8-14-9(17-4-2-1-3-5-17)16-10(15-8)18-7-12-6-13-18/h6-7H,1-5H2,(H2,11,14,15,16).
What are the key properties of 4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 246.28 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80764303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).