2,4-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]-1,2,4-triazine-3,5-dione

C10H17N5O2 — CID 104976116

IUPAC2,4-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]-1,2,4-triazine-3,5-dione
SMILESC[C@@H]1CN(c2nn(C)c(=O)n(C)c2=O)CCN1
InChIInChI=1S/C10H17N5O2/c1-7-6-15(5-4-11-7)8-9(16)13(2)10(17)14(3)12-8/h7,11H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyTYDGGUHGZXGNFG-SSDOTTSWSA-N
MW239.28 g/mol
LogP-1.72
Rot. Bonds1

About 2,4-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]-1,2,4-triazine-3,5-dione

2,4-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]-1,2,4-triazine-3,5-dione (PubChem CID 104976116) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2,4-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]-1,2,4-triazine-3,5-dione
PubChem CID104976116
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2,4-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]-1,2,4-triazine-3,5-dione
SMILESC[C@@H]1CN(c2nn(C)c(=O)n(C)c2=O)CCN1
InChIInChI=1S/C10H17N5O2/c1-7-6-15(5-4-11-7)8-9(16)13(2)10(17)14(3)12-8/h7,11H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyTYDGGUHGZXGNFG-SSDOTTSWSA-N
XLogP-1.72
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]-1,2,4-triazine-3,5-dione (CID 104976116) is 2,4-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]-1,2,4-triazine-3,5-dione is C[C@@H]1CN(c2nn(C)c(=O)n(C)c2=O)CCN1.
What is the InChIKey of 2,4-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]-1,2,4-triazine-3,5-dione?
The InChIKey is TYDGGUHGZXGNFG-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-7-6-15(5-4-11-7)8-9(16)13(2)10(17)14(3)12-8/h7,11H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of 2,4-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]-1,2,4-triazine-3,5-dione has a molecular weight of 239.28 g/mol, XLogP of -1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 104976116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).