6-(5-aminopentylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione

C10H19N5O2 — CID 107323641

IUPAC6-(5-aminopentylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCCCCN)c(=O)n(C)c1=O
InChIInChI=1S/C10H19N5O2/c1-14-9(16)8(13-15(2)10(14)17)12-7-5-3-4-6-11/h3-7,11H2,1-2H3,(H,12,13)
InChIKeyFYYFRLIUWSCVLD-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.98
Rot. Bonds6

About 6-(5-aminopentylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-(5-aminopentylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 107323641) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-(5-aminopentylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(5-aminopentylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID107323641
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name6-(5-aminopentylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCCCCN)c(=O)n(C)c1=O
InChIInChI=1S/C10H19N5O2/c1-14-9(16)8(13-15(2)10(14)17)12-7-5-3-4-6-11/h3-7,11H2,1-2H3,(H,12,13)
InChIKeyFYYFRLIUWSCVLD-UHFFFAOYSA-N
XLogP-0.98
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-(5-aminopentylamino)-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-(5-aminopentylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(5-aminopentylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 107323641) is 6-(5-aminopentylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(5-aminopentylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(5-aminopentylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCCCCCN)c(=O)n(C)c1=O.
What is the InChIKey of 6-(5-aminopentylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is FYYFRLIUWSCVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-14-9(16)8(13-15(2)10(14)17)12-7-5-3-4-6-11/h3-7,11H2,1-2H3,(H,12,13).
What are the key properties of 6-(5-aminopentylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-(5-aminopentylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 241.29 g/mol, XLogP of -0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-aminopentylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 107323641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).