6-[methyl(2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione

C10H18N6O2 — CID 63266213

IUPAC6-[methyl(2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCN(CCN1CCNCC1)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H18N6O2/c1-15(6-7-16-4-2-11-3-5-16)8-9(17)12-10(18)14-13-8/h11H,2-7H2,1H3,(H2,12,14,17,18)
InChIKeyXMZXTJNNGPSFGC-UHFFFAOYSA-N
MW254.29 g/mol
LogP-2.20
Rot. Bonds4

About 6-[methyl(2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione

6-[methyl(2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 63266213) has the molecular formula C10H18N6O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-[methyl(2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[methyl(2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID63266213
Molecular FormulaC10H18N6O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name6-[methyl(2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCN(CCN1CCNCC1)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H18N6O2/c1-15(6-7-16-4-2-11-3-5-16)8-9(17)12-10(18)14-13-8/h11H,2-7H2,1H3,(H2,12,14,17,18)
InChIKeyXMZXTJNNGPSFGC-UHFFFAOYSA-N
XLogP-2.20
TPSA97.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-2.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl(2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[methyl(2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 63266213) is 6-[methyl(2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[methyl(2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[methyl(2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione is CN(CCN1CCNCC1)c1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[methyl(2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is XMZXTJNNGPSFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2/c1-15(6-7-16-4-2-11-3-5-16)8-9(17)12-10(18)14-13-8/h11H,2-7H2,1H3,(H2,12,14,17,18).
What are the key properties of 6-[methyl(2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[methyl(2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 254.29 g/mol, XLogP of -2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63266213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).