6-[(2,2-dimethyloxan-4-yl)amino]-2H-1,2,4-triazine-3,5-dione

C10H16N4O3 — CID 113336607

IUPAC6-[(2,2-dimethyloxan-4-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1(C)CC(Nc2n[nH]c(=O)[nH]c2=O)CCO1
InChIInChI=1S/C10H16N4O3/c1-10(2)5-6(3-4-17-10)11-7-8(15)12-9(16)14-13-7/h6H,3-5H2,1-2H3,(H,11,13)(H2,12,14,15,16)
InChIKeyQWWWPSIWZRAIIX-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.17
Rot. Bonds2

About 6-[(2,2-dimethyloxan-4-yl)amino]-2H-1,2,4-triazine-3,5-dione

6-[(2,2-dimethyloxan-4-yl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 113336607) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-[(2,2-dimethyloxan-4-yl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2,2-dimethyloxan-4-yl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID113336607
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-[(2,2-dimethyloxan-4-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1(C)CC(Nc2n[nH]c(=O)[nH]c2=O)CCO1
InChIInChI=1S/C10H16N4O3/c1-10(2)5-6(3-4-17-10)11-7-8(15)12-9(16)14-13-7/h6H,3-5H2,1-2H3,(H,11,13)(H2,12,14,15,16)
InChIKeyQWWWPSIWZRAIIX-UHFFFAOYSA-N
XLogP-0.17
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-dimethyloxan-4-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2,2-dimethyloxan-4-yl)amino]-2H-1,2,4-triazine-3,5-dione (CID 113336607) is 6-[(2,2-dimethyloxan-4-yl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2,2-dimethyloxan-4-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2,2-dimethyloxan-4-yl)amino]-2H-1,2,4-triazine-3,5-dione is CC1(C)CC(Nc2n[nH]c(=O)[nH]c2=O)CCO1.
What is the InChIKey of 6-[(2,2-dimethyloxan-4-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is QWWWPSIWZRAIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-10(2)5-6(3-4-17-10)11-7-8(15)12-9(16)14-13-7/h6H,3-5H2,1-2H3,(H,11,13)(H2,12,14,15,16).
What are the key properties of 6-[(2,2-dimethyloxan-4-yl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(2,2-dimethyloxan-4-yl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 240.26 g/mol, XLogP of -0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dimethyloxan-4-yl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 113336607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).