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

C10H13ClN8 — CID 83020439

IUPAC4-chloro-N-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESClc1nc(NN2CCCCC2)nc(-n2cncn2)n1
InChIInChI=1S/C10H13ClN8/c11-8-14-9(17-18-4-2-1-3-5-18)16-10(15-8)19-7-12-6-13-19/h6-7H,1-5H2,(H,14,15,16,17)
InChIKeyKDBWTQZPKOXQHF-UHFFFAOYSA-N
MW280.72 g/mol
LogP0.92
Rot. Bonds3

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

4-chloro-N-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 83020439) has the molecular formula C10H13ClN8 and a molecular weight of 280.72 g/mol. Its IUPAC name is 4-chloro-N-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID83020439
Molecular FormulaC10H13ClN8
Molecular Weight280.72 g/mol
Exact Mass280.10
IUPAC Name4-chloro-N-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESClc1nc(NN2CCCCC2)nc(-n2cncn2)n1
InChIInChI=1S/C10H13ClN8/c11-8-14-9(17-18-4-2-1-3-5-18)16-10(15-8)19-7-12-6-13-19/h6-7H,1-5H2,(H,14,15,16,17)
InChIKeyKDBWTQZPKOXQHF-UHFFFAOYSA-N
XLogP0.92
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 83020439) is 4-chloro-N-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is Clc1nc(NN2CCCCC2)nc(-n2cncn2)n1.
What is the InChIKey of 4-chloro-N-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is KDBWTQZPKOXQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN8/c11-8-14-9(17-18-4-2-1-3-5-18)16-10(15-8)19-7-12-6-13-19/h6-7H,1-5H2,(H,14,15,16,17).
What are the key properties of 4-chloro-N-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 280.72 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83020439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).