4-chloro-6-piperazin-1-yl-1,3,5-triazin-2-amine

C7H11ClN6 — CID 80837656

IUPAC4-chloro-6-piperazin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(N2CCNCC2)n1
InChIInChI=1S/C7H11ClN6/c8-5-11-6(9)13-7(12-5)14-3-1-10-2-4-14/h10H,1-4H2,(H2,9,11,12,13)
InChIKeyJRVGMYBZXBPNHH-UHFFFAOYSA-N
MW214.66 g/mol
LogP-0.48
Rot. Bonds1

About 4-chloro-6-piperazin-1-yl-1,3,5-triazin-2-amine

4-chloro-6-piperazin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80837656) has the molecular formula C7H11ClN6 and a molecular weight of 214.66 g/mol. Its IUPAC name is 4-chloro-6-piperazin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-piperazin-1-yl-1,3,5-triazin-2-amine
PubChem CID80837656
Molecular FormulaC7H11ClN6
Molecular Weight214.66 g/mol
Exact Mass214.07
IUPAC Name4-chloro-6-piperazin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(N2CCNCC2)n1
InChIInChI=1S/C7H11ClN6/c8-5-11-6(9)13-7(12-5)14-3-1-10-2-4-14/h10H,1-4H2,(H2,9,11,12,13)
InChIKeyJRVGMYBZXBPNHH-UHFFFAOYSA-N
XLogP-0.48
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-piperazin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-piperazin-1-yl-1,3,5-triazin-2-amine (CID 80837656) is 4-chloro-6-piperazin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-piperazin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-piperazin-1-yl-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(N2CCNCC2)n1.
What is the InChIKey of 4-chloro-6-piperazin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is JRVGMYBZXBPNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN6/c8-5-11-6(9)13-7(12-5)14-3-1-10-2-4-14/h10H,1-4H2,(H2,9,11,12,13).
What are the key properties of 4-chloro-6-piperazin-1-yl-1,3,5-triazin-2-amine?
4-chloro-6-piperazin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 214.66 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-piperazin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80837656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).