2-ethyl-6-methyl-4-propyl-1,2,4-triazine-3,5-dione

C9H15N3O2 — CID 176893914

IUPAC2-ethyl-6-methyl-4-propyl-1,2,4-triazine-3,5-dione
SMILESCCCn1c(=O)c(C)nn(CC)c1=O
InChIInChI=1S/C9H15N3O2/c1-4-6-11-8(13)7(3)10-12(5-2)9(11)14/h4-6H2,1-3H3
InChIKeyBMJYUBCJQUMVLC-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.14
Rot. Bonds3

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

2-ethyl-6-methyl-4-propyl-1,2,4-triazine-3,5-dione (PubChem CID 176893914) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-ethyl-6-methyl-4-propyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-ethyl-6-methyl-4-propyl-1,2,4-triazine-3,5-dione
PubChem CID176893914
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-ethyl-6-methyl-4-propyl-1,2,4-triazine-3,5-dione
SMILESCCCn1c(=O)c(C)nn(CC)c1=O
InChIInChI=1S/C9H15N3O2/c1-4-6-11-8(13)7(3)10-12(5-2)9(11)14/h4-6H2,1-3H3
InChIKeyBMJYUBCJQUMVLC-UHFFFAOYSA-N
XLogP0.14
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-4-propyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-ethyl-6-methyl-4-propyl-1,2,4-triazine-3,5-dione (CID 176893914) is 2-ethyl-6-methyl-4-propyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-ethyl-6-methyl-4-propyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-ethyl-6-methyl-4-propyl-1,2,4-triazine-3,5-dione is CCCn1c(=O)c(C)nn(CC)c1=O.
What is the InChIKey of 2-ethyl-6-methyl-4-propyl-1,2,4-triazine-3,5-dione?
The InChIKey is BMJYUBCJQUMVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-6-11-8(13)7(3)10-12(5-2)9(11)14/h4-6H2,1-3H3.
What are the key properties of 2-ethyl-6-methyl-4-propyl-1,2,4-triazine-3,5-dione?
2-ethyl-6-methyl-4-propyl-1,2,4-triazine-3,5-dione has a molecular weight of 197.24 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-4-propyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 176893914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).