6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C13H23N5O2 — CID 63318538

IUPAC6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCN(CCNc1nn(C)c(=O)n(C)c1=O)C1CCCC1
InChIInChI=1S/C13H23N5O2/c1-16(10-6-4-5-7-10)9-8-14-11-12(19)17(2)13(20)18(3)15-11/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyGVMRGUMZDPYDRP-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.23
Rot. Bonds5

About 6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 63318538) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID63318538
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCN(CCNc1nn(C)c(=O)n(C)c1=O)C1CCCC1
InChIInChI=1S/C13H23N5O2/c1-16(10-6-4-5-7-10)9-8-14-11-12(19)17(2)13(20)18(3)15-11/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyGVMRGUMZDPYDRP-UHFFFAOYSA-N
XLogP-0.23
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 63318538) is 6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CN(CCNc1nn(C)c(=O)n(C)c1=O)C1CCCC1.
What is the InChIKey of 6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is GVMRGUMZDPYDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-16(10-6-4-5-7-10)9-8-14-11-12(19)17(2)13(20)18(3)15-11/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 281.36 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63318538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).