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

C12H22N6O2 — CID 63896364

IUPAC6-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCN1CCN(C)C(CNc2nn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C12H22N6O2/c1-15-5-6-16(2)9(8-15)7-13-10-11(19)17(3)12(20)18(4)14-10/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyDQSAKZDQWACTLC-UHFFFAOYSA-N
MW282.35 g/mol
LogP-1.86
Rot. Bonds3

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

6-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 63896364) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID63896364
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name6-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCN1CCN(C)C(CNc2nn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C12H22N6O2/c1-15-5-6-16(2)9(8-15)7-13-10-11(19)17(3)12(20)18(4)14-10/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyDQSAKZDQWACTLC-UHFFFAOYSA-N
XLogP-1.86
TPSA75.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 5-1.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione with MolForge

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Launch Full Analysis

Related Compounds

6-[(1-ethylpyrrolidin-3-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60855532
6-[(3-aminocyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 66005848
2,4-dimethyl-6-[2-(1-methylpiperidin-4-yl)ethylamino]-1,2,4-triazine-3,5-dione
CID 115599561
6-[2-(cyclopropylamino)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 62663587
6-[(2-aminocyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 64929653
3-[(1,4-dimethylpiperazin-2-yl)methylamino]cyclopent-2-en-1-one
CID 104788526
5-[(1,4-dimethylpiperazin-2-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 63897507
5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 63897427
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-amine
CID 113234222
4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 80819508
6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 63896770
2-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carboxamide
CID 63898975

Frequently Asked Questions

What is the IUPAC name of 6-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 63896364) is 6-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CN1CCN(C)C(CNc2nn(C)c(=O)n(C)c2=O)C1.
What is the InChIKey of 6-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is DQSAKZDQWACTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-15-5-6-16(2)9(8-15)7-13-10-11(19)17(3)12(20)18(4)14-10/h9H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 6-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 282.35 g/mol, XLogP of -1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63896364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).