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

C10H18N4O2 — CID 43410433

IUPAC2,4-dimethyl-6-(pentan-3-ylamino)-1,2,4-triazine-3,5-dione
SMILESCCC(CC)Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H18N4O2/c1-5-7(6-2)11-8-9(15)13(3)10(16)14(4)12-8/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyJKEYIDSSNFXLFZ-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.08
Rot. Bonds4

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

2,4-dimethyl-6-(pentan-3-ylamino)-1,2,4-triazine-3,5-dione (PubChem CID 43410433) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2,4-dimethyl-6-(pentan-3-ylamino)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-(pentan-3-ylamino)-1,2,4-triazine-3,5-dione
PubChem CID43410433
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2,4-dimethyl-6-(pentan-3-ylamino)-1,2,4-triazine-3,5-dione
SMILESCCC(CC)Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H18N4O2/c1-5-7(6-2)11-8-9(15)13(3)10(16)14(4)12-8/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyJKEYIDSSNFXLFZ-UHFFFAOYSA-N
XLogP0.08
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(pentan-3-ylamino)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-(pentan-3-ylamino)-1,2,4-triazine-3,5-dione (CID 43410433) is 2,4-dimethyl-6-(pentan-3-ylamino)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-(pentan-3-ylamino)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-(pentan-3-ylamino)-1,2,4-triazine-3,5-dione is CCC(CC)Nc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-(pentan-3-ylamino)-1,2,4-triazine-3,5-dione?
The InChIKey is JKEYIDSSNFXLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-5-7(6-2)11-8-9(15)13(3)10(16)14(4)12-8/h7H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 2,4-dimethyl-6-(pentan-3-ylamino)-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-(pentan-3-ylamino)-1,2,4-triazine-3,5-dione has a molecular weight of 226.28 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(pentan-3-ylamino)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).