2-(1-hydroxypropan-2-yloxymethyl)-1,2,4-triazine-3,5-dione

C7H11N3O4 — CID 10420349

IUPAC2-(1-hydroxypropan-2-yloxymethyl)-1,2,4-triazine-3,5-dione
SMILESCC(CO)OCn1ncc(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O4/c1-5(3-11)14-4-10-7(13)9-6(12)2-8-10/h2,5,11H,3-4H2,1H3,(H,9,12,13)
InChIKeyKMTYQOBXDKMPFP-UHFFFAOYSA-N
MW201.18 g/mol
LogP-1.71
Rot. Bonds4

About 2-(1-hydroxypropan-2-yloxymethyl)-1,2,4-triazine-3,5-dione

2-(1-hydroxypropan-2-yloxymethyl)-1,2,4-triazine-3,5-dione (PubChem CID 10420349) has the molecular formula C7H11N3O4 and a molecular weight of 201.18 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-yloxymethyl)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-yloxymethyl)-1,2,4-triazine-3,5-dione
PubChem CID10420349
Molecular FormulaC7H11N3O4
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name2-(1-hydroxypropan-2-yloxymethyl)-1,2,4-triazine-3,5-dione
SMILESCC(CO)OCn1ncc(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O4/c1-5(3-11)14-4-10-7(13)9-6(12)2-8-10/h2,5,11H,3-4H2,1H3,(H,9,12,13)
InChIKeyKMTYQOBXDKMPFP-UHFFFAOYSA-N
XLogP-1.71
TPSA97.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-yloxymethyl)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-(1-hydroxypropan-2-yloxymethyl)-1,2,4-triazine-3,5-dione (CID 10420349) is 2-(1-hydroxypropan-2-yloxymethyl)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-(1-hydroxypropan-2-yloxymethyl)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-(1-hydroxypropan-2-yloxymethyl)-1,2,4-triazine-3,5-dione is CC(CO)OCn1ncc(=O)[nH]c1=O.
What is the InChIKey of 2-(1-hydroxypropan-2-yloxymethyl)-1,2,4-triazine-3,5-dione?
The InChIKey is KMTYQOBXDKMPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4/c1-5(3-11)14-4-10-7(13)9-6(12)2-8-10/h2,5,11H,3-4H2,1H3,(H,9,12,13).
What are the key properties of 2-(1-hydroxypropan-2-yloxymethyl)-1,2,4-triazine-3,5-dione?
2-(1-hydroxypropan-2-yloxymethyl)-1,2,4-triazine-3,5-dione has a molecular weight of 201.18 g/mol, XLogP of -1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-yloxymethyl)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 10420349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).