6-propan-2-yl-2H-1,2,4-triazine-3,5-dione

C6H9N3O2 — CID 45071933

IUPAC6-propan-2-yl-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H9N3O2/c1-3(2)4-5(10)7-6(11)9-8-4/h3H,1-2H3,(H2,7,9,10,11)
InChIKeyADASAVQKCZWRFH-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.42
Rot. Bonds1

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

6-propan-2-yl-2H-1,2,4-triazine-3,5-dione (PubChem CID 45071933) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 6-propan-2-yl-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-propan-2-yl-2H-1,2,4-triazine-3,5-dione
PubChem CID45071933
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name6-propan-2-yl-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H9N3O2/c1-3(2)4-5(10)7-6(11)9-8-4/h3H,1-2H3,(H2,7,9,10,11)
InChIKeyADASAVQKCZWRFH-UHFFFAOYSA-N
XLogP-0.42
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Diketometribuzin
CID 41909
6-Azathymine
CID 70269
1,2,4-Triazine-2,5(2H,4H)-dione, 6-(1,1-dimethylethyl)-
CID 40299
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-butyl-2H-1,2,4-triazine-3,5-dione
CID 10888325
6-Cyclopropyl-1,2,4-triazine-3,5(2h,4h)-dione
CID 12211944
4-amino-6-propan-2-yl-2H-1,2,4-triazine-3,5-dione
CID 12566096
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
3,4-dimethyl-5-oxo-4H-pyrazole-1-carboxamide
CID 12224724
4-amino-6-ethyl-2H-1,2,4-triazine-3,5-dione
CID 20788179

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-propan-2-yl-2H-1,2,4-triazine-3,5-dione (CID 45071933) is 6-propan-2-yl-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-propan-2-yl-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-propan-2-yl-2H-1,2,4-triazine-3,5-dione is CC(C)c1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-propan-2-yl-2H-1,2,4-triazine-3,5-dione?
The InChIKey is ADASAVQKCZWRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-3(2)4-5(10)7-6(11)9-8-4/h3H,1-2H3,(H2,7,9,10,11).
What are the key properties of 6-propan-2-yl-2H-1,2,4-triazine-3,5-dione?
6-propan-2-yl-2H-1,2,4-triazine-3,5-dione has a molecular weight of 155.16 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 45071933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).