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

C9H17N5O2 — CID 63731201

IUPAC6-(2-aminobutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCC(N)CNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H17N5O2/c1-4-6(10)5-11-7-8(15)13(2)9(16)14(3)12-7/h6H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyVQWPQBVOSJDDNE-UHFFFAOYSA-N
MW227.27 g/mol
LogP-1.37
Rot. Bonds4

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

6-(2-aminobutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 63731201) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 6-(2-aminobutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2-aminobutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID63731201
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name6-(2-aminobutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCC(N)CNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H17N5O2/c1-4-6(10)5-11-7-8(15)13(2)9(16)14(3)12-7/h6H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyVQWPQBVOSJDDNE-UHFFFAOYSA-N
XLogP-1.37
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,3-dihydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 66177760
6-hydrazinyl-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 15268101
2,4-dimethyl-6-[2-(propan-2-ylamino)ethylamino]-1,2,4-triazine-3,5-dione
CID 62664840
6-[(3-aminocyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 66005848
6-[(2-aminocyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 64929653
6-[2-(4-aminophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 61221196
6-(hexan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 62200621
6-[2-(cyclopropylamino)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 62663587
6-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 79479739
6-[(2-hydroxyphenyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 115598698
6-[(1-ethylpyrrolidin-3-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60855532
3-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]ethyl]-1,1-dimethylurea
CID 83112398

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminobutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2-aminobutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 63731201) is 6-(2-aminobutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2-aminobutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2-aminobutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is CCC(N)CNc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-(2-aminobutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is VQWPQBVOSJDDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-4-6(10)5-11-7-8(15)13(2)9(16)14(3)12-7/h6H,4-5,10H2,1-3H3,(H,11,12).
What are the key properties of 6-(2-aminobutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-(2-aminobutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 227.27 g/mol, XLogP of -1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminobutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63731201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).