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

C12H22N4O3 — CID 54998909

IUPAC6-[2-hydroxyethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCC(CC)N(CCO)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H22N4O3/c1-5-9(6-2)16(7-8-17)10-11(18)14(3)12(19)15(4)13-10/h9,17H,5-8H2,1-4H3
InChIKeyJUQJRPCSQNGASH-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.53
Rot. Bonds6

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

6-[2-hydroxyethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 54998909) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-[2-hydroxyethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-hydroxyethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID54998909
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name6-[2-hydroxyethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCC(CC)N(CCO)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H22N4O3/c1-5-9(6-2)16(7-8-17)10-11(18)14(3)12(19)15(4)13-10/h9,17H,5-8H2,1-4H3
InChIKeyJUQJRPCSQNGASH-UHFFFAOYSA-N
XLogP-0.53
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxyethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-hydroxyethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 54998909) is 6-[2-hydroxyethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-hydroxyethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-hydroxyethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CCC(CC)N(CCO)c1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-[2-hydroxyethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is JUQJRPCSQNGASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-5-9(6-2)16(7-8-17)10-11(18)14(3)12(19)15(4)13-10/h9,17H,5-8H2,1-4H3.
What are the key properties of 6-[2-hydroxyethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[2-hydroxyethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 270.33 g/mol, XLogP of -0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxyethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 54998909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).