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

C8H13N5O2 — CID 2006407

IUPAC6-(4-methylpiperazin-1-yl)-2H-1,2,4-triazine-3,5-dione
SMILESCN1CCN(c2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C8H13N5O2/c1-12-2-4-13(5-3-12)6-7(14)9-8(15)11-10-6/h2-5H2,1H3,(H2,9,11,14,15)
InChIKeySSDDTMQRENEHFF-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.79
Rot. Bonds1

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

6-(4-methylpiperazin-1-yl)-2H-1,2,4-triazine-3,5-dione (PubChem CID 2006407) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-2H-1,2,4-triazine-3,5-dione
PubChem CID2006407
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name6-(4-methylpiperazin-1-yl)-2H-1,2,4-triazine-3,5-dione
SMILESCN1CCN(c2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C8H13N5O2/c1-12-2-4-13(5-3-12)6-7(14)9-8(15)11-10-6/h2-5H2,1H3,(H2,9,11,14,15)
InChIKeySSDDTMQRENEHFF-UHFFFAOYSA-N
XLogP-1.79
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-2H-1,2,4-triazine-3,5-dione (CID 2006407) is 6-(4-methylpiperazin-1-yl)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-2H-1,2,4-triazine-3,5-dione is CN1CCN(c2n[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is SSDDTMQRENEHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-12-2-4-13(5-3-12)6-7(14)9-8(15)11-10-6/h2-5H2,1H3,(H2,9,11,14,15).
What are the key properties of 6-(4-methylpiperazin-1-yl)-2H-1,2,4-triazine-3,5-dione?
6-(4-methylpiperazin-1-yl)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 211.22 g/mol, XLogP of -1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 2006407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).