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

C7H11N3O2 — CID 10888325

IUPAC6-butyl-2H-1,2,4-triazine-3,5-dione
SMILESCCCCc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-2-3-4-5-6(11)8-7(12)10-9-5/h2-4H2,1H3,(H2,8,10,11,12)
InChIKeyGINMSJLHUMWGDX-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.20
Rot. Bonds3

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

6-butyl-2H-1,2,4-triazine-3,5-dione (PubChem CID 10888325) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 6-butyl-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-butyl-2H-1,2,4-triazine-3,5-dione
PubChem CID10888325
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name6-butyl-2H-1,2,4-triazine-3,5-dione
SMILESCCCCc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-2-3-4-5-6(11)8-7(12)10-9-5/h2-4H2,1H3,(H2,8,10,11,12)
InChIKeyGINMSJLHUMWGDX-UHFFFAOYSA-N
XLogP-0.20
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,4-Triazine-3,5(2H,4H)-dione, 6-propyl-
CID 15277155
6-Ethyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 23273425
6-Isopropyl-1,2,4-triazine-3,5(2h,4h)-dione
CID 45071933
6-pentyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 45071934
1,2,4-Triazine-3,5(2H,4H)-dione, 6-heptyl-
CID 171384779
6-hexyl-2H-1,2,4-triazine-3,5-dione
CID 77230214
6-Cyclopropyl-1,2,4-triazine-3,5(2h,4h)-dione
CID 12211944
3-methyl-7-oxo-5,6-dihydro-4H-diazepine-1-carbohydrazide
CID 19825651
6-butyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 57068059
6-(1-bromobutyl)-2H-1,2,4-triazine-3,5-dione
CID 68810821
ethane;6-methyl-2H-1,2,4-triazine-3,5-dione
CID 155720358
6-pentan-2-yl-2H-1,2,4-triazine-3,5-dione
CID 156373226

Frequently Asked Questions

What is the IUPAC name of 6-butyl-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-butyl-2H-1,2,4-triazine-3,5-dione (CID 10888325) is 6-butyl-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-butyl-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-butyl-2H-1,2,4-triazine-3,5-dione is CCCCc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-butyl-2H-1,2,4-triazine-3,5-dione?
The InChIKey is GINMSJLHUMWGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-3-4-5-6(11)8-7(12)10-9-5/h2-4H2,1H3,(H2,8,10,11,12).
What are the key properties of 6-butyl-2H-1,2,4-triazine-3,5-dione?
6-butyl-2H-1,2,4-triazine-3,5-dione has a molecular weight of 169.18 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 10888325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).