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

C8H14N4O2 — CID 61168629

IUPAC6-(2,2-dimethylpropylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)(C)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O2/c1-8(2,3)4-9-5-6(13)10-7(14)12-11-5/h4H2,1-3H3,(H,9,11)(H2,10,12,13,14)
InChIKeySHMPOYXFONDHIX-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.08
Rot. Bonds2

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

6-(2,2-dimethylpropylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 61168629) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 6-(2,2-dimethylpropylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2,2-dimethylpropylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID61168629
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name6-(2,2-dimethylpropylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)(C)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O2/c1-8(2,3)4-9-5-6(13)10-7(14)12-11-5/h4H2,1-3H3,(H,9,11)(H2,10,12,13,14)
InChIKeySHMPOYXFONDHIX-UHFFFAOYSA-N
XLogP-0.08
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2,2-dimethylpropylamino)-2H-1,2,4-triazine-3,5-dione (CID 61168629) is 6-(2,2-dimethylpropylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2,2-dimethylpropylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2,2-dimethylpropylamino)-2H-1,2,4-triazine-3,5-dione is CC(C)(C)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(2,2-dimethylpropylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is SHMPOYXFONDHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-8(2,3)4-9-5-6(13)10-7(14)12-11-5/h4H2,1-3H3,(H,9,11)(H2,10,12,13,14).
What are the key properties of 6-(2,2-dimethylpropylamino)-2H-1,2,4-triazine-3,5-dione?
6-(2,2-dimethylpropylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 198.23 g/mol, XLogP of -0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 61168629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).