6-ethyl-2H-1,2,4-triazine-3,5-dione

C5H7N3O2 — CID 23273425

IUPAC6-ethyl-2H-1,2,4-triazine-3,5-dione
SMILESCCc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H7N3O2/c1-2-3-4(9)6-5(10)8-7-3/h2H2,1H3,(H2,6,8,9,10)
InChIKeyYCFQUUSQIUMEKF-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.98
Rot. Bonds1

About 6-ethyl-2H-1,2,4-triazine-3,5-dione

6-ethyl-2H-1,2,4-triazine-3,5-dione (PubChem CID 23273425) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 6-ethyl-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-ethyl-2H-1,2,4-triazine-3,5-dione
PubChem CID23273425
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name6-ethyl-2H-1,2,4-triazine-3,5-dione
SMILESCCc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H7N3O2/c1-2-3-4(9)6-5(10)8-7-3/h2H2,1H3,(H2,6,8,9,10)
InChIKeyYCFQUUSQIUMEKF-UHFFFAOYSA-N
XLogP-0.98
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Azathymine
CID 70269
1,2,4-Triazine-2,5(2H,4H)-dione, 6-(1,1-dimethylethyl)-
CID 40299
4-amino-6-methyl-2H-1,2,4-triazine-3,5-dione
CID 11073521
6-(Fluoromethyl)-1,2,4-triazine-3,5(2h,4h)-dione
CID 263427
1,2,4-Triazine-3,5(2H,4H)-dione, 6-propyl-
CID 15277155
6-Isopropyl-1,2,4-triazine-3,5(2h,4h)-dione
CID 45071933
CID 158950829
CID 158950829
6-butyl-2H-1,2,4-triazine-3,5-dione
CID 10888325
3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 10855552
4-amino-6-propan-2-yl-2H-1,2,4-triazine-3,5-dione
CID 12566096
2-acetyl-6-methyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 44725398
6-methyl-4-sulfanyl-2H-1,2,4-triazine-3,5-dione
CID 145093042

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-ethyl-2H-1,2,4-triazine-3,5-dione (CID 23273425) is 6-ethyl-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-ethyl-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-ethyl-2H-1,2,4-triazine-3,5-dione is CCc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-ethyl-2H-1,2,4-triazine-3,5-dione?
The InChIKey is YCFQUUSQIUMEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-2-3-4(9)6-5(10)8-7-3/h2H2,1H3,(H2,6,8,9,10).
What are the key properties of 6-ethyl-2H-1,2,4-triazine-3,5-dione?
6-ethyl-2H-1,2,4-triazine-3,5-dione has a molecular weight of 141.13 g/mol, XLogP of -0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 23273425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).