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

C10H17N5O2 — CID 62663587

IUPAC6-[2-(cyclopropylamino)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCNC2CC2)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N5O2/c1-14-9(16)8(13-15(2)10(14)17)12-6-5-11-7-3-4-7/h7,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyXIPAKJPDIMRSLP-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.36
Rot. Bonds5

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

6-[2-(cyclopropylamino)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 62663587) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-[2-(cyclopropylamino)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(cyclopropylamino)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID62663587
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name6-[2-(cyclopropylamino)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCNC2CC2)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N5O2/c1-14-9(16)8(13-15(2)10(14)17)12-6-5-11-7-3-4-7/h7,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyXIPAKJPDIMRSLP-UHFFFAOYSA-N
XLogP-1.36
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-6-[2-(1-methylpiperidin-4-yl)ethylamino]-1,2,4-triazine-3,5-dione
CID 115599561
6-[(3-aminocyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 66005848
6-[2-(4-aminocyclohexyl)oxyethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63871525
2,4-dimethyl-6-[(4-methylcyclohexyl)amino]-1,2,4-triazine-3,5-dione
CID 43410494
3-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]ethyl]-1,1-dimethylurea
CID 83112398
6-[(1-ethylpyrrolidin-3-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60855532
6-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63896364
4-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxamide
CID 61043016
6-[2-(4-aminophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 61221196
6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 65118665
3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 62928664
6-(2-but-3-enoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 113338954

Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclopropylamino)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-(cyclopropylamino)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 62663587) is 6-[2-(cyclopropylamino)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-(cyclopropylamino)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-(cyclopropylamino)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCCNC2CC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[2-(cyclopropylamino)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is XIPAKJPDIMRSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-14-9(16)8(13-15(2)10(14)17)12-6-5-11-7-3-4-7/h7,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 6-[2-(cyclopropylamino)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[2-(cyclopropylamino)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 239.28 g/mol, XLogP of -1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclopropylamino)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 62663587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).