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

C12H23N5O2 — CID 63760592

IUPAC6-[2-aminoethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCC(CC)N(CCN)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H23N5O2/c1-5-9(6-2)17(8-7-13)10-11(18)15(3)12(19)16(4)14-10/h9H,5-8,13H2,1-4H3
InChIKeyPPRNXGLLDHSWOG-UHFFFAOYSA-N
MW269.35 g/mol
LogP-0.57
Rot. Bonds6

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

6-[2-aminoethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 63760592) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-[2-aminoethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-aminoethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID63760592
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name6-[2-aminoethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCC(CC)N(CCN)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H23N5O2/c1-5-9(6-2)17(8-7-13)10-11(18)15(3)12(19)16(4)14-10/h9H,5-8,13H2,1-4H3
InChIKeyPPRNXGLLDHSWOG-UHFFFAOYSA-N
XLogP-0.57
TPSA86.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-aminoethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-aminoethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 63760592) is 6-[2-aminoethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-aminoethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-aminoethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CCC(CC)N(CCN)c1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-[2-aminoethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is PPRNXGLLDHSWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-5-9(6-2)17(8-7-13)10-11(18)15(3)12(19)16(4)14-10/h9H,5-8,13H2,1-4H3.
What are the key properties of 6-[2-aminoethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[2-aminoethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 269.35 g/mol, XLogP of -0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-aminoethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63760592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).