6-[2-(4-aminocyclohexyl)oxyethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C13H23N5O3 — CID 63871525

IUPAC6-[2-(4-aminocyclohexyl)oxyethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCOC2CCC(N)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H23N5O3/c1-17-12(19)11(16-18(2)13(17)20)15-7-8-21-10-5-3-9(14)4-6-10/h9-10H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyJDTKWDGWPIPISD-UHFFFAOYSA-N
MW297.36 g/mol
LogP-0.82
Rot. Bonds5

About 6-[2-(4-aminocyclohexyl)oxyethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[2-(4-aminocyclohexyl)oxyethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 63871525) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-[2-(4-aminocyclohexyl)oxyethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(4-aminocyclohexyl)oxyethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID63871525
Molecular FormulaC13H23N5O3
Molecular Weight297.36 g/mol
Exact Mass297.18
IUPAC Name6-[2-(4-aminocyclohexyl)oxyethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCOC2CCC(N)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H23N5O3/c1-17-12(19)11(16-18(2)13(17)20)15-7-8-21-10-5-3-9(14)4-6-10/h9-10H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyJDTKWDGWPIPISD-UHFFFAOYSA-N
XLogP-0.82
TPSA104.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-aminocyclohexyl)oxyethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-(4-aminocyclohexyl)oxyethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 63871525) is 6-[2-(4-aminocyclohexyl)oxyethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-(4-aminocyclohexyl)oxyethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-(4-aminocyclohexyl)oxyethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCCOC2CCC(N)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[2-(4-aminocyclohexyl)oxyethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is JDTKWDGWPIPISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3/c1-17-12(19)11(16-18(2)13(17)20)15-7-8-21-10-5-3-9(14)4-6-10/h9-10H,3-8,14H2,1-2H3,(H,15,16).
What are the key properties of 6-[2-(4-aminocyclohexyl)oxyethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[2-(4-aminocyclohexyl)oxyethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 297.36 g/mol, XLogP of -0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-aminocyclohexyl)oxyethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63871525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).