6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine

C8H15N7 — CID 13203368

IUPAC6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCN1CCN(c2nc(N)nc(N)n2)CC1
InChIInChI=1S/C8H15N7/c1-14-2-4-15(5-3-14)8-12-6(9)11-7(10)13-8/h2-5H2,1H3,(H4,9,10,11,12,13)
InChIKeyHRQGDUJSSJGYLC-UHFFFAOYSA-N
MW209.26 g/mol
LogP-1.21
Rot. Bonds1

About 6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine

6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 13203368) has the molecular formula C8H15N7 and a molecular weight of 209.26 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID13203368
Molecular FormulaC8H15N7
Molecular Weight209.26 g/mol
Exact Mass209.14
IUPAC Name6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCN1CCN(c2nc(N)nc(N)n2)CC1
InChIInChI=1S/C8H15N7/c1-14-2-4-15(5-3-14)8-12-6(9)11-7(10)13-8/h2-5H2,1H3,(H4,9,10,11,12,13)
InChIKeyHRQGDUJSSJGYLC-UHFFFAOYSA-N
XLogP-1.21
TPSA97.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine (CID 13203368) is 6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine is CN1CCN(c2nc(N)nc(N)n2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HRQGDUJSSJGYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N7/c1-14-2-4-15(5-3-14)8-12-6(9)11-7(10)13-8/h2-5H2,1H3,(H4,9,10,11,12,13).
What are the key properties of 6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine?
6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 209.26 g/mol, XLogP of -1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 13203368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).