6-(2,3-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione

C9H16N4O2 — CID 64598169

IUPAC6-(2,3-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)C(C)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H16N4O2/c1-5(2)6(3)4-10-7-8(14)11-9(15)13-12-7/h5-6H,4H2,1-3H3,(H,10,12)(H2,11,13,14,15)
InChIKeyKJCXDKMYLWVDFZ-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.16
Rot. Bonds4

About 6-(2,3-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione

6-(2,3-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 64598169) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 6-(2,3-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2,3-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID64598169
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name6-(2,3-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)C(C)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H16N4O2/c1-5(2)6(3)4-10-7-8(14)11-9(15)13-12-7/h5-6H,4H2,1-3H3,(H,10,12)(H2,11,13,14,15)
InChIKeyKJCXDKMYLWVDFZ-UHFFFAOYSA-N
XLogP0.16
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2,3-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione (CID 64598169) is 6-(2,3-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2,3-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2,3-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione is CC(C)C(C)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(2,3-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is KJCXDKMYLWVDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-5(2)6(3)4-10-7-8(14)11-9(15)13-12-7/h5-6H,4H2,1-3H3,(H,10,12)(H2,11,13,14,15).
What are the key properties of 6-(2,3-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione?
6-(2,3-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 212.25 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 64598169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).