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

C13H20N8 — CID 114691144

IUPAC4-piperidin-1-yl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine
SMILESCCCn1nncc1-c1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C13H20N8/c1-2-6-21-10(9-15-19-21)11-16-12(14)18-13(17-11)20-7-4-3-5-8-20/h9H,2-8H2,1H3,(H2,14,16,17,18)
InChIKeyHSGRQSLJRNJAIC-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.11
Rot. Bonds4

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

4-piperidin-1-yl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine (PubChem CID 114691144) has the molecular formula C13H20N8 and a molecular weight of 288.36 g/mol. Its IUPAC name is 4-piperidin-1-yl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-piperidin-1-yl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine
PubChem CID114691144
Molecular FormulaC13H20N8
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Name4-piperidin-1-yl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine
SMILESCCCn1nncc1-c1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C13H20N8/c1-2-6-21-10(9-15-19-21)11-16-12(14)18-13(17-11)20-7-4-3-5-8-20/h9H,2-8H2,1H3,(H2,14,16,17,18)
InChIKeyHSGRQSLJRNJAIC-UHFFFAOYSA-N
XLogP1.11
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.11
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-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-piperidin-1-yl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine (CID 114691144) is 4-piperidin-1-yl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-piperidin-1-yl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-piperidin-1-yl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine is CCCn1nncc1-c1nc(N)nc(N2CCCCC2)n1.
What is the InChIKey of 4-piperidin-1-yl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine?
The InChIKey is HSGRQSLJRNJAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N8/c1-2-6-21-10(9-15-19-21)11-16-12(14)18-13(17-11)20-7-4-3-5-8-20/h9H,2-8H2,1H3,(H2,14,16,17,18).
What are the key properties of 4-piperidin-1-yl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine?
4-piperidin-1-yl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 288.36 g/mol, XLogP of 1.11, 4 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-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 114691144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).