6-chloro-3-(3,5-dimethylpiperazin-1-yl)-1,2,4-triazin-5-amine

C9H15ClN6 — CID 123736530

IUPAC6-chloro-3-(3,5-dimethylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCC1CN(c2nnc(Cl)c(N)n2)CC(C)N1
InChIInChI=1S/C9H15ClN6/c1-5-3-16(4-6(2)12-5)9-13-8(11)7(10)14-15-9/h5-6,12H,3-4H2,1-2H3,(H2,11,13,15)
InChIKeyXJNYRNOJCXKJIY-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.29
Rot. Bonds1

About 6-chloro-3-(3,5-dimethylpiperazin-1-yl)-1,2,4-triazin-5-amine

6-chloro-3-(3,5-dimethylpiperazin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 123736530) has the molecular formula C9H15ClN6 and a molecular weight of 242.71 g/mol. Its IUPAC name is 6-chloro-3-(3,5-dimethylpiperazin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-chloro-3-(3,5-dimethylpiperazin-1-yl)-1,2,4-triazin-5-amine
PubChem CID123736530
Molecular FormulaC9H15ClN6
Molecular Weight242.71 g/mol
Exact Mass242.10
IUPAC Name6-chloro-3-(3,5-dimethylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCC1CN(c2nnc(Cl)c(N)n2)CC(C)N1
InChIInChI=1S/C9H15ClN6/c1-5-3-16(4-6(2)12-5)9-13-8(11)7(10)14-15-9/h5-6,12H,3-4H2,1-2H3,(H2,11,13,15)
InChIKeyXJNYRNOJCXKJIY-UHFFFAOYSA-N
XLogP0.29
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3,5-dimethylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of 6-chloro-3-(3,5-dimethylpiperazin-1-yl)-1,2,4-triazin-5-amine (CID 123736530) is 6-chloro-3-(3,5-dimethylpiperazin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-chloro-3-(3,5-dimethylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for 6-chloro-3-(3,5-dimethylpiperazin-1-yl)-1,2,4-triazin-5-amine is CC1CN(c2nnc(Cl)c(N)n2)CC(C)N1.
What is the InChIKey of 6-chloro-3-(3,5-dimethylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is XJNYRNOJCXKJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN6/c1-5-3-16(4-6(2)12-5)9-13-8(11)7(10)14-15-9/h5-6,12H,3-4H2,1-2H3,(H2,11,13,15).
What are the key properties of 6-chloro-3-(3,5-dimethylpiperazin-1-yl)-1,2,4-triazin-5-amine?
6-chloro-3-(3,5-dimethylpiperazin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 242.71 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3,5-dimethylpiperazin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 123736530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).