3,6-dichloro-N-piperidin-1-yl-1,2,4-triazin-5-amine

C8H11Cl2N5 — CID 83020030

IUPAC3,6-dichloro-N-piperidin-1-yl-1,2,4-triazin-5-amine
SMILESClc1nnc(Cl)c(NN2CCCCC2)n1
InChIInChI=1S/C8H11Cl2N5/c9-6-7(11-8(10)13-12-6)14-15-4-2-1-3-5-15/h1-5H2,(H,11,13,14)
InChIKeyMHIFWWACVWFJSK-UHFFFAOYSA-N
MW248.12 g/mol
LogP1.99
Rot. Bonds2

About 3,6-dichloro-N-piperidin-1-yl-1,2,4-triazin-5-amine

3,6-dichloro-N-piperidin-1-yl-1,2,4-triazin-5-amine (PubChem CID 83020030) has the molecular formula C8H11Cl2N5 and a molecular weight of 248.12 g/mol. Its IUPAC name is 3,6-dichloro-N-piperidin-1-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-piperidin-1-yl-1,2,4-triazin-5-amine
PubChem CID83020030
Molecular FormulaC8H11Cl2N5
Molecular Weight248.12 g/mol
Exact Mass247.04
IUPAC Name3,6-dichloro-N-piperidin-1-yl-1,2,4-triazin-5-amine
SMILESClc1nnc(Cl)c(NN2CCCCC2)n1
InChIInChI=1S/C8H11Cl2N5/c9-6-7(11-8(10)13-12-6)14-15-4-2-1-3-5-15/h1-5H2,(H,11,13,14)
InChIKeyMHIFWWACVWFJSK-UHFFFAOYSA-N
XLogP1.99
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-piperidin-1-yl-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-piperidin-1-yl-1,2,4-triazin-5-amine (CID 83020030) is 3,6-dichloro-N-piperidin-1-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-piperidin-1-yl-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-piperidin-1-yl-1,2,4-triazin-5-amine is Clc1nnc(Cl)c(NN2CCCCC2)n1.
What is the InChIKey of 3,6-dichloro-N-piperidin-1-yl-1,2,4-triazin-5-amine?
The InChIKey is MHIFWWACVWFJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N5/c9-6-7(11-8(10)13-12-6)14-15-4-2-1-3-5-15/h1-5H2,(H,11,13,14).
What are the key properties of 3,6-dichloro-N-piperidin-1-yl-1,2,4-triazin-5-amine?
3,6-dichloro-N-piperidin-1-yl-1,2,4-triazin-5-amine has a molecular weight of 248.12 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-piperidin-1-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 83020030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).