6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione

C9H11N5O3 — CID 103946643

IUPAC6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCc1cnc(C(C)Nc2n[nH]c(=O)[nH]c2=O)o1
InChIInChI=1S/C9H11N5O3/c1-4-3-10-8(17-4)5(2)11-6-7(15)12-9(16)14-13-6/h3,5H,1-2H3,(H,11,13)(H2,12,14,15,16)
InChIKeyHZNOLNQCSXQIGC-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.07
Rot. Bonds3

About 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione

6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 103946643) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID103946643
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCc1cnc(C(C)Nc2n[nH]c(=O)[nH]c2=O)o1
InChIInChI=1S/C9H11N5O3/c1-4-3-10-8(17-4)5(2)11-6-7(15)12-9(16)14-13-6/h3,5H,1-2H3,(H,11,13)(H2,12,14,15,16)
InChIKeyHZNOLNQCSXQIGC-UHFFFAOYSA-N
XLogP-0.07
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione (CID 103946643) is 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione is Cc1cnc(C(C)Nc2n[nH]c(=O)[nH]c2=O)o1.
What is the InChIKey of 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is HZNOLNQCSXQIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3/c1-4-3-10-8(17-4)5(2)11-6-7(15)12-9(16)14-13-6/h3,5H,1-2H3,(H,11,13)(H2,12,14,15,16).
What are the key properties of 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione?
6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 237.22 g/mol, XLogP of -0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103946643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).