6-[3-hydroxypropyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C11H20N4O3 — CID 61145737

IUPAC6-[3-hydroxypropyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC(C)N(CCCO)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H20N4O3/c1-8(2)15(6-5-7-16)9-10(17)13(3)11(18)14(4)12-9/h8,16H,5-7H2,1-4H3
InChIKeyGUXXSSFZIFRUTF-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.92
Rot. Bonds5

About 6-[3-hydroxypropyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[3-hydroxypropyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 61145737) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-[3-hydroxypropyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[3-hydroxypropyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID61145737
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name6-[3-hydroxypropyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC(C)N(CCCO)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H20N4O3/c1-8(2)15(6-5-7-16)9-10(17)13(3)11(18)14(4)12-9/h8,16H,5-7H2,1-4H3
InChIKeyGUXXSSFZIFRUTF-UHFFFAOYSA-N
XLogP-0.92
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3-Hydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 43410460
6-[Heptyl(3-hydroxypropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 68812055
6-(1-Hydroxybutan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 43410468
6-(1-Hydroxypropan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 43646862
6-[Cyclopentyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 54998769
6-[2-Hydroxyethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 54998909
6-[2-Hydroxyethyl(methyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60658652
6-[Ethyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60658668
6-(4-Hydroxypiperidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60658708
3-[(2,4-Dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-propan-2-ylamino]propanoic acid
CID 60828550
6-[3-hydroxypropyl(propan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 61145738
6-[2-Hydroxyethyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 61146518

Frequently Asked Questions

What is the IUPAC name of 6-[3-hydroxypropyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[3-hydroxypropyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 61145737) is 6-[3-hydroxypropyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[3-hydroxypropyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[3-hydroxypropyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CC(C)N(CCCO)c1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-[3-hydroxypropyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is GUXXSSFZIFRUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-8(2)15(6-5-7-16)9-10(17)13(3)11(18)14(4)12-9/h8,16H,5-7H2,1-4H3.
What are the key properties of 6-[3-hydroxypropyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[3-hydroxypropyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 256.31 g/mol, XLogP of -0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-hydroxypropyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 61145737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).