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

C8H13ClN6 — CID 123562010

IUPAC6-chloro-3-(3-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCC1CN(c2nnc(Cl)c(N)n2)CCN1
InChIInChI=1S/C8H13ClN6/c1-5-4-15(3-2-11-5)8-12-7(10)6(9)13-14-8/h5,11H,2-4H2,1H3,(H2,10,12,14)
InChIKeyRUTZEUHNVJCATF-UHFFFAOYSA-N
MW228.69 g/mol
LogP-0.09
Rot. Bonds1

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

6-chloro-3-(3-methylpiperazin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 123562010) has the molecular formula C8H13ClN6 and a molecular weight of 228.69 g/mol. Its IUPAC name is 6-chloro-3-(3-methylpiperazin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-chloro-3-(3-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
PubChem CID123562010
Molecular FormulaC8H13ClN6
Molecular Weight228.69 g/mol
Exact Mass228.09
IUPAC Name6-chloro-3-(3-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCC1CN(c2nnc(Cl)c(N)n2)CCN1
InChIInChI=1S/C8H13ClN6/c1-5-4-15(3-2-11-5)8-12-7(10)6(9)13-14-8/h5,11H,2-4H2,1H3,(H2,10,12,14)
InChIKeyRUTZEUHNVJCATF-UHFFFAOYSA-N
XLogP-0.09
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.69
LogP ≤ 5-0.09
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-methylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of 6-chloro-3-(3-methylpiperazin-1-yl)-1,2,4-triazin-5-amine (CID 123562010) is 6-chloro-3-(3-methylpiperazin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-chloro-3-(3-methylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for 6-chloro-3-(3-methylpiperazin-1-yl)-1,2,4-triazin-5-amine is CC1CN(c2nnc(Cl)c(N)n2)CCN1.
What is the InChIKey of 6-chloro-3-(3-methylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is RUTZEUHNVJCATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN6/c1-5-4-15(3-2-11-5)8-12-7(10)6(9)13-14-8/h5,11H,2-4H2,1H3,(H2,10,12,14).
What are the key properties of 6-chloro-3-(3-methylpiperazin-1-yl)-1,2,4-triazin-5-amine?
6-chloro-3-(3-methylpiperazin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 228.69 g/mol, XLogP of -0.09, 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-methylpiperazin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 123562010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).